News and Events

In April 2020, the article 'Identification of the Clinical Development Candidate MRTX849, a Covalent KRAS G12C Inhibitor for the Treatment of Cancer' (https://bit.ly/317MscI) describing the discovery of MRTX849 as a potent, selective covalent inhibitor of KRAS G12C, that bind in the switch-II pocket of KRAS, was published. Now this drug candidate is in a Phase 1/2 trials in patients with advanced solid tumors (Non-Small Cell Lung Cancer and Colorectal Cancer) with KRAS G12C mutation. MRTX849 contains 5H,6H,7H,8H-pyrido[3,4-d]pyrimidine moiety in its backbone. We have made a set of compounds, which contain such part – the perfect start for your research! https://bit.ly/2DUM5JO

Spiro Fragments Set = 3K in-stock + 37K make-on-demand compounds.
All compounds in the set have at least 1 spiro moiety, accord with the Ro3, and are free of PAINS and toxic fragments.

For more information please contact us at [email protected].

Dear friends and colleagues!

We would like to invite you to join Chemspace Webinar 'Artificial Intelligence (AI) Solutions for Computational and Organic Chemistry Tasks', which will take place at 5:00 PM (CET) on August, 27.

Halogen acetylene derivatives of the N-heterocycless are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research.

In April 2020, the article 'Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, Targeting MPS1 Kinase' describing the results of drug discovery from HTS and SBDD was published. BAY1161909 contains substituted [1,2,4]triazolo[1,5-a]pyridin moiety. We have created a set of BBs with such part:

Our General Fragments library consists of 
➤ 94K in-stock + 390K the make-on-demand set small molecules that 
✔ accord with the Rule of 3
✔ contain no PAINS
✔ are filtered from toxic/highly reactive compounds by the in-house filters.

Capmatinib (TABRECTA), approved by FDA in May 2020, is designed for the treatment of non-small cell lung cancer. It contains 2-fluoro-N-methylbenzamide moiety. We have created a set of BBs with such part:

Dear Colleagues,
Thank you all for participating in the webinar yesterday!
For those who did not have the opportunity to connect, the recording is already available https://www.youtube.com/watch?v=eoQdx1HoZuI

Nitriles of the dimethylphosphoryl derivatives are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

Chemspace offers a Fluorine Fragments Library of small molecules. The major use of fluorinated compounds is 19F NMR-assisted screening in the Fragment-based drug developing projects. For more details please contact us at [email protected].

In May 2020 the article 'Discovery of an Atropisomeric PI3Kβ Selective Inhibitor through Optimization of the Hinge Binding Motif' describing the usage of rational design from the known starting point in drug discovery was published. “Compound (P)-14” contains halogenquinoline moiety. We have created a set of BBs with such part.

Dear friends and colleagues! We would like to invite you to join Chemspace Webinar 'Making virtual REAL: a 2020 q1-2 update', on July, 30. 

Register now at https://attendee.gotowebinar.com/register/3644965017234954510

Chemspace Macrocyclic Compounds Library consists of 254K macrocycles that are in-stock and available for purchase = compounds set + scaffolds of non-peptidic nature that could be further modified as well as totally assembled macrocyclic molecules.

For more information please contact us at [email protected].

Dear colleagues,
Thanks everyone for joining the webinar yesterday! 
For those who didn’t have a chance to connect, the recording is already available: https://youtu.be/iJPXEwS5MKk.

Pemigatinib (PEMAZYRE), approved by FDA in April 2020, is designed for the treatment of unresectable locally advanced or metastatic bile duct cancer (cholangiocarcinoma). It contains 1H-pyrrolo[2,3-b]pyridine moiety. We have created a set of BBs with such part:

Sulfonyl fluorides are the Molecules of This Week. We at Chemspace always have new small molecules to power up your research. To browse the set please use the link.

In May 2020 the article 'Discovery of a NAPE-PLD inhibitor that modulates emotional behavior in mice' describing the discovery and characterization of LEI-401 as a CNS-active NAPE-PLD inhibitor was published. It contains tri-substituted pyrimidine moiety. We have created a set of BBs with such part.

Discover our NEW Extended HTS Pre-Plated set with 337 000 compounds! HTS is a useful and sometimes the only tool in drug discovery, especially when there is no target structure available or just cell-based screens are necessary. In vitro tests of a moderately sized diverse library + pre-plated libraries = are ideal candidates because they are inexpensive and readily available! Features of Extended HTS set: - Medchem friendly – over 99% compounds are PAINS-free, and over 80% pass strict BRENK filters - Lead-Like – MW ≤ 400, logP ≤ 4, RB ≤ 4, HBD ≤ 4, HBA ≤ 8 - TPSA ≤ 140 and HAC ≤ 30 https://bit.ly/3f3pic4 Please contact us for more info on plating options at [email protected].

Users need high potential molecules as a starting point. Thus, ChemAlive and Chem-space have partnered. The Chem-space libraries of synthesizable molecules thus adds a base of molecules from which to request calculations. In this webinar, we will discuss the underlying cheminformatics, quantum physics and software/hardware infrastructure that makes high throughput quantum chemistry possible.

In May 2020, a group of researchers published an article 'Design and synthesis of styrenylcyclopropylamine LSD1 inhibitors' (https://bit.ly/2VlqCPk), describing the investigation of mechanism-based inhibitors of lysine-specific demethylase LSD1. LSD1 has a FAD co-factor which is covalently modified by the cyclopropylamine in compound 34 likely through an electron-transfer mechanism.

Chemspace offers Building Blocks for DEL suitable
as CORES = molecules with 2-3 variation points that are either orthogonal or protected with orthogonal protective groups.
★ 33K bifunctional in-stock
★ 2K trifunctional in-stock
as DECORATORS = compounds with one functionality
★ 116K in-stock

For more details please contact us at [email protected].

The Molecules of This Week are Morpholine analogues. We at Chemspace always have new small molecules to power up your research. In case of any questions just drop us a line: [email protected].

To create a Chemspace Phenotypic Screening Library, we have selected
✔ 29K in-stock molecules
✔ compounds with activity annotations in ChEMBL
✔ compounds with favorable physicochemical profiles

PAINS and toxic molecules have been removed.
Each molecule is annotated with UniProt codes list of reported targets.

For more details please contact us at [email protected].

Selpercatinib (RETEVMO), approved by FDA in May 2020, is designed for the treatment of non-small cell lung cancer and some types of thyroid cancers. It contains pyrazolo[1,5-a]pyridine moiety. We have created a set of BBs with such part.

Chemspace and ChemAlive (the largest repository of quantum chemical data, a Contract Research Company that develops software products to obtain accurate and reliable data on molecular properties, synthetic reactions, verification of molecules using quantum chemistry), announced the launch of the collaboration to provide accurate molecular structural information about commercial small molecules.