M040-0462 Screening compound: 3-(4-propoxyphenyl)-5-{[4-(thiophen-2-yl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole

M040-0462 Screening compound: 3-(4-propoxyphenyl)-5-{[4-(thiophen-2-yl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole
M040-0462 Screening compound: 3-(4-propoxyphenyl)-5-{[4-(thiophen-2-yl)-1,3-thiazol-2-yl]methyl}-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0462
3-(4-propoxyphenyl)-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

M040-0462

Molecular Formula

C19H17N3O2S2 (C19 H17 N3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCOc(cc1)ccc1-c1noc(Cc2nc(-c3cccs3)cs2)n1

InChI

InChI=1S/C19H17N3O2S2/c1-2-9-23-14-7-5-13(6-8-14)19-21-17(24-22-19)11-18-20-15(12-26-18)16-4-3-10-25-16/h3-8,10,12H,2,9,11H2,1H3

InChI Key

SMPMOXFEWWKDKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.084

Distribution Coefficient, logD

6.084

Water Solubility, LogSw

-5.64

Polar Surface Area

49.975

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

M040-0462 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M040-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0462?
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What is the minimum amount of M040-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0462
  • 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 M040-0462 available by request