C301-5589 Screening compound: 4-bromo-3-methyl-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

C301-5589 Screening compound: 4-bromo-3-methyl-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
C301-5589 Screening compound: 4-bromo-3-methyl-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5589
4-bromo-3-methyl-N-[phenyl(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

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

C301-5589

Molecular Formula

C22H18BrN3O (C22 H18 BrN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(cc1)NC(c2nnc(-c3ccccc3)o2)c2ccccc2)c1Br

InChI

InChI=1S/C22H18BrN3O/c1-15-14-18(12-13-19(15)23)24-20(16-8-4-2-5-9-16)22-26-25-21(27-22)17-10-6-3-7-11-17/h2-14,20,24H,1H3/t20-/m1/s1

InChI Key

XSEIXUAYTCIXKU-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD09662133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.31

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

5.811

Distribution Coefficient, logD

5.811

Water Solubility, LogSw

-5.67

Polar Surface Area

40.069

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

C301-5589 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 C301-5589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5589?
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What is the minimum amount of C301-5589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5589
  • 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 C301-5589 available by request