M040-0576 Screening compound: 5-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

M040-0576 Screening compound: 5-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
M040-0576 Screening compound: 5-{[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0576
5-{[4-(4-chlorophenyl)-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

M040-0576

Molecular Formula

C19H11ClF3N3OS (C19 H11 ClF3 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

FC(c1cccc(-c2noc(Cc3nc(-c(cc4)ccc4Cl)cs3)n2)c1)(F)F

InChI

InChI=1S/C19H11ClF3N3OS/c20-14-6-4-11(5-7-14)15-10-28-17(24-15)9-16-25-18(26-27-16)12-2-1-3-13(8-12)19(21,22)23/h1-8,10H,9H2

InChI Key

USGXFXGDWHXSDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.83

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

6.915

Distribution Coefficient, logD

6.915

Water Solubility, LogSw

-6.96

Polar Surface Area

41.539

Acid Dissociation Constant (pKa)

35.28

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

M040-0576 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M040-0576 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0576?
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What is the minimum amount of M040-0576 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0576
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0576
  • 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 M040-0576 available by request