C301-6047 Screening compound: N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-3-fluoroaniline

C301-6047 Screening compound: N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-3-fluoroaniline
C301-6047 Screening compound: N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-3-fluoroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6047
N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-3-fluoroaniline

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

C301-6047

Molecular Formula

C21H15ClFN3O (C21 H15 ClFN3 O)

Compound Name

N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-3-fluoroaniline

IUPAC name

N-{[5-(2-chlorophenyl)-134-oxadiazol-2-yl](phenyl)methyl}-3-fluoroaniline

SMILES

Fc1cccc(NC(c2nnc(-c(cccc3)c3Cl)o2)c2ccccc2)c1

InChI

InChI=1S/C21H15ClFN3O/c22-18-12-5-4-11-17(18)20-25-26-21(27-20)19(14-7-2-1-3-8-14)24-16-10-6-9-15(23)13-16/h1-13,19,24H/t19-/m1/s1

InChI Key

YQDFUTUHMGOKJI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD12129273

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.62

Polar Surface Area

40.069

Acid Dissociation Constant (pKa)

16.04

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

4.80

C301-6047 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-6047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6047?
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What is the minimum amount of C301-6047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6047
  • 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 C301-6047 available by request