C301-6109 Screening compound: 4-bromo-N-[(2-chloro-4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline

C301-6109 Screening compound: 4-bromo-N-[(2-chloro-4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline
C301-6109 Screening compound: 4-bromo-N-[(2-chloro-4-fluorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6109
4-bromo-N-[(2-chloro-4-fluorophenyl)(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

C301-6109

Molecular Formula

C22H16BrClFN3O (C22 H16 BrClFN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)NC(c2nnc(-c3ccccc3)o2)c(ccc(F)c2)c2Cl)c1Br

InChI

InChI=1S/C22H16BrClFN3O/c1-13-11-16(8-10-18(13)23)26-20(17-9-7-15(25)12-19(17)24)22-28-27-21(29-22)14-5-3-2-4-6-14/h2-12,20,26H,1H3/t20-/m1/s1

InChI Key

SYYJFZSPJQJRMU-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14744290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.74

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

6.823

Distribution Coefficient, logD

6.823

Water Solubility, LogSw

-6.54

Polar Surface Area

40.069

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

C301-6109 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 C301-6109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6109?
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What is the minimum amount of C301-6109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6109
  • 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 C301-6109 available by request