M040-0839 Screening compound: 5-{[4-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl}-3-(thiophen-2-yl)-1,2,4-oxadiazole

M040-0839 Screening compound: 5-{[4-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl}-3-(thiophen-2-yl)-1,2,4-oxadiazole
M040-0839 Screening compound: 5-{[4-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl}-3-(thiophen-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0839
5-{[4-(4-ethylphenyl)-1,3-thiazol-2-yl]methyl}-3-(thiophen-2-yl)-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

M040-0839

Molecular Formula

C18H15N3OS2 (C18 H15 N3 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1-c1csc(Cc2nc(-c3cccs3)no2)n1

InChI

InChI=1S/C18H15N3OS2/c1-2-12-5-7-13(8-6-12)14-11-24-17(19-14)10-16-20-18(21-22-16)15-4-3-9-23-15/h3-9,11H,2,10H2,1H3

InChI Key

UTIPNWZFYHMSFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.47

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

6.110

Distribution Coefficient, logD

6.110

Water Solubility, LogSw

-5.66

Polar Surface Area

42.557

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

M040-0839 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M040-0839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0839?
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What is the minimum amount of M040-0839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0839
  • 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 M040-0839 available by request