M040-0962 Screening compound: 3-(2-chlorophenyl)-5-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole

M040-0962 Screening compound: 3-(2-chlorophenyl)-5-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole
M040-0962 Screening compound: 3-(2-chlorophenyl)-5-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0962
3-(2-chlorophenyl)-5-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

M040-0962

Molecular Formula

C19H14ClN3OS (C19 H14 ClN3 OS)

Compound Name

3-(2-chlorophenyl)-5-{[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole

IUPAC name

3-(2-chlorophenyl)-5-{[4-(4-methylphenyl)-13-thiazol-2-yl]methyl}-124-oxadiazole

SMILES

Cc(cc1)ccc1-c1csc(Cc2nc(-c(cccc3)c3Cl)no2)n1

InChI

InChI=1S/C19H14ClN3OS/c1-12-6-8-13(9-7-12)16-11-25-18(21-16)10-17-22-19(23-24-17)14-4-2-3-5-15(14)20/h2-9,11H,10H2,1H3

InChI Key

UUSABBCLHWGBLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.108

Distribution Coefficient, logD

6.108

Water Solubility, LogSw

-6.02

Polar Surface Area

41.539

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

M040-0962 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M040-0962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0962?
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What is the minimum amount of M040-0962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0962
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of M040-0962 available by request