C301-4981 Screening compound: 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

C301-4981 Screening compound: 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
C301-4981 Screening compound: 2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4981
2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)-1,3,4-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

C301-4981

Molecular Formula

C16H12ClFN2O (C16 H12 ClFN2 O)

Compound Name

2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

IUPAC name

2-[(2-chloro-4-fluorophenyl)methyl]-5-(2-methylphenyl)-134-oxadiazole

SMILES

Cc(cccc1)c1-c1nnc(Cc(ccc(F)c2)c2Cl)o1

InChI

InChI=1S/C16H12ClFN2O/c1-10-4-2-3-5-13(10)16-20-19-15(21-16)8-11-6-7-12(18)9-14(11)17/h2-7,9H,8H2,1H3

InChI Key

JMJKYNGRPGNHKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.495

Distribution Coefficient, logD

4.495

Water Solubility, LogSw

-4.61

Polar Surface Area

30.148

Acid Dissociation Constant (pKa)

27.73

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C301-4981 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-4981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4981?
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What is the minimum amount of C301-4981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4981
  • 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 C301-4981 available by request