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Pyxis embraces the concept of scaffold-based chemical space exploration

This library design approach offers several advantages over alternative methods of chemical space enrichment as it is easy to combine with existing machine learning and statistical modelling algorithms and chemistry process automation. All Pyxis scaffolds are drug-like and synthetically tractable, featuring Fsp3-rich linkers and ring-systems found in known drugs or natural products. The peripheral building blocks can be attached to the core scaffold in a step-by-step fashion using well-validated protocols of parallel chemistry.

CNS-Macrocycles

Macrocycles tend to be larger than traditional screening molecules which makes them perfect discovery tools for targets with shallow or extended binding sites or modulators of protein-protein interactions and molecular glues. Their unique character is based on restricted flexibility and ability to form intra-molecular hydrogen bonds facilitating a balance between aqueous solubility and cellular permeability. Macrocyclic scaffolds provide tremendous opportunity for chemical modifications and generating high-value libraries enriched with novel compounds with unparalleled diversity and drug-like properties.

We offer a range of products to make Macrocycle chemical space exploration available for multiple applications either virtual or real:

Macrocyclic Screening Library

A collection of in-stock available diverse macrocycles in a convenient pre-plated format.
Specification: 2870 compounds, 0.5 umol in DMSO, Purity 90% (UHPLC-MS)

Download [SDF]

Macrocyclic Core Scaffolds

A collection of macrocyclic bisamines, representing the diversity of Pyxis macrocyclic scaffolds. Specification: 73 compounds, 10 mg dry, Purity 90% (UHPLC-MS)

Download [SDF]

Macrocyclic Intermediates

A collection of macrocyclic monoamines, a starting point for parallel chemistry. Specification: 472 compounds, 10 umol dry, Purity 90% (UHPLC-MS)

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Building blocks

A collection of carefully selected monomers used in medicinal chemistry for parallel chemistry. Specification: 500 compounds, 20 umol dry, Purity 90% (UHPLC-MS)

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Macrocyclic Express Library

An on-demand synthesis library with just one week process time. Select your preferred molecules and pick from available formatting options to request your instant quote. Specification: 9769 on-demand compounds, 2-10 umol dry, Purity 90% (UHPLC-MS), Formatting: single vials, 96/384 plates

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Macrocyclic Virtual Library

A fully enumerated virtual library of novel, drug-like macrocycles. Specification: 1 922 800 molecules

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Diversity-oriented Macrocycles

Compounds promoting the interaction of two (or more) proteins while also acting as functional modulators of protein proximity are potentially promising candidates for the development of new therapeutic modalities known as molecular glues (MG).

Pyxis molecular glue library encompasses several molecular scaffolds including macrocycles and CRBN-binding chemotypes. We offer a range of products to make protein degraders chemical space exploration available for multiple applications ether virtual or real:

MG Screening Library

A collection of in-stock available diverse molecular glues and protein degraders in a convenient pre-plated format. Specification: 1277 compounds, 0.5 umol in DMSO, Purity 90% (UHPLC-MS)

Download [SDF]

MG Intermediates

A collection of E3-ligase recruiting scaffolds for MG parallel chemistry or PROTAC design. Specification: 327 compounds, 10 umol dry, Purity 90% (UHPLC-MS)

Download [SDF]

Building blocks

A collection of carefully selected monomers used in medicinal chemistry for parallel chemistry. Specification: 500 compounds, 20 umol dry, Purity 90% (UHPLC-MS)

Download [SDF]

MG Express Library

On demand synthesis library with one week turnaround cycle.
Specification: 2000 compounds, 2 umol dry, Purity 90% (UHPLC-MS)

Learn more about our services

MG Tangible Library

On demand synthesis library with 4 weeks turnaround cycle.
Specification: 50000 compounds, 2 umol dry, Purity 90% (UHPLC-MS)

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Macrocyclic PROTAC Library

On demand synthesis library with 4 weeks turnaround cycle.
Specification: 10000 compounds, 2 umol dry, Purity 90% (UHPLC-MS)

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MG Virtual Library

A fully enumerated virtual library. Specification: 170794 compounds

Download [Smiles]

Covalent Inhibitors

Molecular scaffolds decorated with electrophilic building blocks represent an interesting source of new molecules that could facilitate drug discovery of novel covalent inhibitors.

Pyxis has developed a library of Cys-oriented electrophilic molecules by combining commercially available macrocyclic intermediates with drug-like electrophilic carboxylic acids:

Macrocyclic Covalent Library

On demand synthesis library with 4 weeks turnaround cycle. Specification: 13948 compounds, 2 umol dry, Purity 90% (UHPLC-MS)

Download [SDF]

Macrocyclic Intermediates

A collection of macrocyclic monoamines, a diversity snapshot of the macrocycle architectures and a starting point for parallel chemistry. Specification: 472 compounds, 10 umol dry, Purity 90% (UHPLC-MS)

Download [SDF]

Building blocks

A collection of carefully selected monomers used in medicinal chemistry for parallel chemistry. Specification: 548 compounds, 20 umol dry, Purity 90% (UHPLC-MS)

Download [SDF]

Warheads

A collection of carefully selected electrophile-containing carboxylic acids. Specification: 24 compounds, 20 umol dry, Purity 90% (UHPLC-MS)

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Diversity-oriented

Our diversity libraries are based on hundreds of commercial and proprietary intermediates decorated with thousands of pre-selected building blocks using Pyxis green chemistry microscale platform. By screening these libraries, researchers can quickly identify compounds with a range of activities and selectivity profiles.

The library is supported by robust synthetic protocols to ensure high re-producibility of the research results and enabling the library customization in a collaborative manner.

Diversity Screening Library

A collection of in-stock available diverse macrocycles in a convenient pre-plated format.
Specification: 2870 compounds, 0.5 umol in DMSO, Purity 90% (UHPLC-MS)

Diversity Scaffolds

A collection of boc bisamines, and boc-amino acids
Specification: Size 200, 10 mg dry, Purity 90% (UHPLC-MS)

Building blocks

A collection of carefully selected monomers used in medicinal chemistry for parallel chemistry. Specification: 500 compounds, 20 umol dry, Purity 90% (UHPLC-MS)

Download [SDF]

Diversity Virtual Library

A fully enumerated virtual library of drug-like, diversity-oriented compounds. Specification: 1 684 725 molecules

Download [Smiles]

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