C301-5441 Screening compound: 4-bromo-N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline

C301-5441 Screening compound: 4-bromo-N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline
C301-5441 Screening compound: 4-bromo-N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5441
4-bromo-N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline

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

C301-5441

Molecular Formula

C22H17BrClN3O (C22 H17 BrClN3 O)

Compound Name

4-bromo-N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline

IUPAC name

4-bromo-N-[(4-chlorophenyl)(5-phenyl-134-oxadiazol-2-yl)methyl]-3-methylaniline

SMILES

Cc(cc(cc1)NC(c2nnc(-c3ccccc3)o2)c(cc2)ccc2Cl)c1Br

InChI

InChI=1S/C22H17BrClN3O/c1-14-13-18(11-12-19(14)23)25-20(15-7-9-17(24)10-8-15)22-27-26-21(28-22)16-5-3-2-4-6-16/h2-13,20,25H,1H3/t20-/m1/s1

InChI Key

ANZHBUOMWNFTLU-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14743989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.75

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

6.401

Distribution Coefficient, logD

6.401

Water Solubility, LogSw

-6.49

Polar Surface Area

40.069

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

C301-5441 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-5441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5441?
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What is the minimum amount of C301-5441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5441
  • 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 C301-5441 available by request