M040-0041 Screening compound: 5-{[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl}-3-(4-fluorophenyl)-1,2,4-oxadiazole

M040-0041 Screening compound: 5-{[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl}-3-(4-fluorophenyl)-1,2,4-oxadiazole
M040-0041 Screening compound: 5-{[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl}-3-(4-fluorophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0041
5-{[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]methyl}-3-(4-fluorophenyl)-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

M040-0041

Molecular Formula

C20H16FN3OS (C20 H16 FN3 OS)

Compound Name

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

IUPAC name

5-{[4-(25-dimethylphenyl)-13-thiazol-2-yl]methyl}-3-(4-fluorophenyl)-124-oxadiazole

SMILES

Cc1cc(-c2csc(Cc3nc(-c(cc4)ccc4F)no3)n2)c(C)cc1

InChI

InChI=1S/C20H16FN3OS/c1-12-3-4-13(2)16(9-12)17-11-26-19(22-17)10-18-23-20(24-25-18)14-5-7-15(21)8-6-14/h3-9,11H,10H2,1-2H3

InChI Key

GUTAGUVARHKHLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

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

6.092

Distribution Coefficient, logD

6.092

Water Solubility, LogSw

-5.60

Polar Surface Area

41.539

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

M040-0041 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M040-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0041?
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What is the minimum amount of M040-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0041
  • 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 M040-0041 available by request