C301-6521 Screening compound: 3-chloro-N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline

C301-6521 Screening compound: 3-chloro-N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline
C301-6521 Screening compound: 3-chloro-N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6521
3-chloro-N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]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

C301-6521

Molecular Formula

C22H15Cl2F2N3O2 (C22 H15 Cl2 F2 N3 O2)

Compound Name

3-chloro-N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-methoxyaniline

IUPAC name

3-chloro-N-[(2-chloro-4-fluorophenyl)[5-(3-fluorophenyl)-134-oxadiazol-2-yl]methyl]-4-methoxyaniline

SMILES

COc(ccc(NC(c1nnc(-c2cc(F)ccc2)o1)c(ccc(F)c1)c1Cl)c1)c1Cl

InChI

InChI=1S/C22H15Cl2F2N3O2/c1-30-19-8-6-15(11-18(19)24)27-20(16-7-5-14(26)10-17(16)23)22-29-28-21(31-22)12-3-2-4-13(25)9-12/h2-11,20,27H,1H3/t20-/m1/s1

InChI Key

PZOPDDGPJIQLHG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD12129364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.28

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

6.306

Distribution Coefficient, logD

6.306

Water Solubility, LogSw

-6.50

Polar Surface Area

47.700

Acid Dissociation Constant (pKa)

15.29

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

C301-6521 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 C301-6521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6521?
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What is the minimum amount of C301-6521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6521
  • 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 C301-6521 available by request