M040-0956 Screening compound: 3-[(4-chlorophenyl)methyl]-5-{[4-(thiophen-2-yl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole

M040-0956 Screening compound: 3-[(4-chlorophenyl)methyl]-5-{[4-(thiophen-2-yl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole
M040-0956 Screening compound: 3-[(4-chlorophenyl)methyl]-5-{[4-(thiophen-2-yl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0956
3-[(4-chlorophenyl)methyl]-5-{[4-(thiophen-2-yl)-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

M040-0956

Molecular Formula

C17H12ClN3OS2 (C17 H12 ClN3 OS2)

Compound Name

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

IUPAC name

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

SMILES

Clc1ccc(Cc2noc(Cc3nc(-c4cccs4)cs3)n2)cc1

InChI

InChI=1S/C17H12ClN3OS2/c18-12-5-3-11(4-6-12)8-15-20-16(22-21-15)9-17-19-13(10-24-17)14-2-1-7-23-14/h1-7,10H,8-9H2

InChI Key

WZNPVHTZGHNSFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-6.08

Polar Surface Area

43.548

Acid Dissociation Constant (pKa)

31.44

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

M040-0956 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M040-0956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0956?
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What is the minimum amount of M040-0956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0956
  • 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 M040-0956 available by request