News and Events
6 August 2020
Drug Candidate Analogs. BAY1161909
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:
5 August 2020
General Fragments library
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.
4 August 2020
Building Block Analogs of Capmatinib
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:
31 July 2020
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
27 July 2020
The Molecules of This Week are dimethylphosphoryl nitriles
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.
23 July 2020
Fluorine Fragments Library
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@example.com.
21 July 2020
Drug Candidate Analogs. “Compound (P)-14″
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.
17 July 2020
Webinar 'Making virtual REAL: a 2020 q1-2 update', on July, 30
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
17 July 2020
Macrocyclic Compounds Library
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 firstname.lastname@example.org.
16 July 2020
Chemspace & ChemAlive Webinar
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.
15 July 2020
Building Block Analogs of Pemigatinib
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:
13 July 2020
The Molecules of This Week are Sulfonyl fluorides
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.
7 July 2020
Drug Candidate Analogs. LEI-401
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.
3 July 2020
NEW Extended HTS Pre-Plated set
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@example.com.
29 June 2020
Webinar with ChemAlive
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.
26 June 2020
Drug Candidates Analogs. Compound 34
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.
24 June 2020
Building Blocks for DEL
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 firstname.lastname@example.org.
22 June 2020
The Molecules of This Week are Morpholine analogues
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@example.com.
18 June 2020
Phenotypic Screening Library
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 firstname.lastname@example.org.
16 June 2020
Building Block Analogs of Selpercatinib
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.
12 June 2020
Chemspace collaborates with ChemAlive
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.
11 June 2020
PPI Modulators Library
Chemspace PPI Modulators Library comprises:
- 6K in-stock PPI Modulators of large, but not “greasy” molecules
- molecules accord with the “Rule of 4” for iPPI
- compounds with functional groups that interact with Arg, Trp, Tyr residues.
10 June 2020
In February 2020, a group of researchers from the University of California, San Francisco, published an article, which described the application of a new strategy for covalent targeting to the cap-binding site of eukaryotic translation initiation factor 4E (eIF4E) involved in the growth of cancer cells. We at Chemspace selected the Covalent Modifiers Library, which can be used in the covalent docking and available for further purchasing.
8 June 2020
The Molecules of This Week are Hetaryl esters
The Molecules of This Week are Hetaryl esters. We at Chemspace always have new small molecules to power up your research. In case of any questions just drop us a line: email@example.com.
4 June 2020
Chemspace CNS-Focused Library:
✔ high-quality leadlike, free from PAINS/toxic fragments and aggregators, small molecule compounds;
✔ leadlike and druglike compounds with a probability of blood-brain barrier penetration;
✔ selected using physiochemical property filters and computational methods;
✔ 94K in-stock and 547K make-on-demand compounds.