M876-0521 Screening compound: 5-{[5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

M876-0521 Screening compound: 5-{[5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
M876-0521 Screening compound: 5-{[5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M876-0521
5-{[5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazol-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

M876-0521

Molecular Formula

C19H12F4N4O2 (C19 H12 F4 N4 O2)

Compound Name

5-{[5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-{[5-(3-fluoro-4-methylphenyl)-134-oxadiazol-2-yl]methyl}-3-[3-(trifluoromethyl)phenyl]-124-oxadiazole

SMILES

Cc(ccc(-c1nnc(Cc2nc(-c3cc(C(F)(F)F)ccc3)no2)o1)c1)c1F

InChI

InChI=1S/C19H12F4N4O2/c1-10-5-6-12(8-14(10)20)18-26-25-16(28-18)9-15-24-17(27-29-15)11-3-2-4-13(7-11)19(21,22)23/h2-8H,9H2,1H3

InChI Key

GLPSRIVYDWFDLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.254

Distribution Coefficient, logD

5.254

Water Solubility, LogSw

-5.38

Polar Surface Area

61.491

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

M876-0521 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M876-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M876-0521?
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What is the minimum amount of M876-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M876-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M876-0521
  • 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 M876-0521 available by request