M040-0585 Screening compound: 5-{[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

M040-0585 Screening compound: 5-{[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
M040-0585 Screening compound: 5-{[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0585
5-{[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-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

M040-0585

Molecular Formula

C21H16F3N3OS (C21 H16 F3 N3 OS)

Compound Name

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

IUPAC name

5-{[4-(24-dimethylphenyl)-13-thiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-124-oxadiazole

SMILES

Cc(cc1)cc(C)c1-c1csc(Cc2nc(-c3cc(C(F)(F)F)ccc3)no2)n1

InChI

InChI=1S/C21H16F3N3OS/c1-12-6-7-16(13(2)8-12)17-11-29-19(25-17)10-18-26-20(27-28-18)14-4-3-5-15(9-14)21(22,23)24/h3-9,11H,10H2,1-2H3

InChI Key

PGAVABFHUJWLQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.44

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

6.957

Distribution Coefficient, logD

6.957

Water Solubility, LogSw

-5.98

Polar Surface Area

41.539

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M040-0585 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with M040-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0585?
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What is the minimum amount of M040-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0585
  • 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 M040-0585 available by request