M040-0968 Screening compound: 3-(2-chlorophenyl)-5-{[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole

M040-0968 Screening compound: 3-(2-chlorophenyl)-5-{[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole
M040-0968 Screening compound: 3-(2-chlorophenyl)-5-{[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0968
3-(2-chlorophenyl)-5-{[4-(4-ethoxyphenyl)-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

M040-0968

Molecular Formula

C20H16ClN3O2S (C20 H16 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H16ClN3O2S/c1-2-25-14-9-7-13(8-10-14)17-12-27-19(22-17)11-18-23-20(24-26-18)15-5-3-4-6-16(15)21/h3-10,12H,2,11H2,1H3

InChI Key

PTKRGSMPBPJFPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.053

Distribution Coefficient, logD

6.053

Water Solubility, LogSw

-6.04

Polar Surface Area

48.663

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M040-0968 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 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 M040-0968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0968?
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What is the minimum amount of M040-0968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0968
  • 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 M040-0968 available by request