C301-6147 Screening compound: N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-4-methoxyaniline

C301-6147 Screening compound: N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-4-methoxyaniline
C301-6147 Screening compound: N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-4-methoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6147
N-{[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl](phenyl)methyl}-4-methoxyaniline

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

C301-6147

Molecular Formula

C22H18ClN3O2 (C22 H18 ClN3 O2)

Compound Name

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

IUPAC name

N-{[5-(2-chlorophenyl)-134-oxadiazol-2-yl](phenyl)methyl}-4-methoxyaniline

SMILES

COc(cc1)ccc1NC(c1nnc(-c(cccc2)c2Cl)o1)c1ccccc1

InChI

InChI=1S/C22H18ClN3O2/c1-27-17-13-11-16(12-14-17)24-20(15-7-3-2-4-8-15)22-26-25-21(28-22)18-9-5-6-10-19(18)23/h2-14,20,24H,1H3/t20-/m1/s1

InChI Key

TWKUWXMAEIPCGU-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD12129278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.161

Distribution Coefficient, logD

5.161

Water Solubility, LogSw

-5.61

Polar Surface Area

47.613

Acid Dissociation Constant (pKa)

17.59

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

C301-6147 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-6147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6147?
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What is the minimum amount of C301-6147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6147
  • 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 C301-6147 available by request