M040-0176 Screening compound: 3-(3-chlorophenyl)-5-{[4-(thiophen-2-yl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole

M040-0176 Screening compound: 3-(3-chlorophenyl)-5-{[4-(thiophen-2-yl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole
M040-0176 Screening compound: 3-(3-chlorophenyl)-5-{[4-(thiophen-2-yl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0176
3-(3-chlorophenyl)-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

M040-0176

Molecular Formula

C16H10ClN3OS2 (C16 H10 ClN3 OS2)

Compound Name

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

IUPAC name

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

SMILES

Clc1cc(-c2noc(Cc3nc(-c4cccs4)cs3)n2)ccc1

InChI

InChI=1S/C16H10ClN3OS2/c17-11-4-1-3-10(7-11)16-19-14(21-20-16)8-15-18-12(9-23-15)13-5-2-6-22-13/h1-7,9H,8H2

InChI Key

UAFZNUYYOJXADE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22591709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.86

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

5.786

Distribution Coefficient, logD

5.786

Water Solubility, LogSw

-6.18

Polar Surface Area

42.557

Acid Dissociation Constant (pKa)

35.22

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

M040-0176 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with M040-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0176?
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What is the minimum amount of M040-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0176
  • 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 M040-0176 available by request