C430-5047 Screening compound: 3-[(4-bromo-3-methylphenyl)amino]-2-(2-methylphenyl)-2,3-dihydro-1H-isoindol-1-one

C430-5047 Screening compound: 3-[(4-bromo-3-methylphenyl)amino]-2-(2-methylphenyl)-2,3-dihydro-1H-isoindol-1-one
C430-5047 Screening compound: 3-[(4-bromo-3-methylphenyl)amino]-2-(2-methylphenyl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-5047
3-[(4-bromo-3-methylphenyl)amino]-2-(2-methylphenyl)-2,3-dihydro-1H-isoindol-1-one

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

C430-5047

Molecular Formula

C22H19BrN2O (C22 H19 BrN2 O)

Compound Name

3-[(4-bromo-3-methylphenyl)amino]-2-(2-methylphenyl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[(4-bromo-3-methylphenyl)amino]-2-(2-methylphenyl)-23-dihydro-1H-isoindol-1-one

SMILES

Cc(cccc1)c1N(C(c1c2cccc1)Nc(cc1)cc(C)c1Br)C2=O

InChI

InChI=1S/C22H19BrN2O/c1-14-7-3-6-10-20(14)25-21(17-8-4-5-9-18(17)22(25)26)24-16-11-12-19(23)15(2)13-16/h3-13,21,24H,1-2H3/t21-/m0/s1

InChI Key

SFQYMNFKFWKYOT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14756823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.31

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.714

Distribution Coefficient, logD

5.714

Water Solubility, LogSw

-5.49

Polar Surface Area

24.090

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C430-5047 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C430-5047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-5047?
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What is the minimum amount of C430-5047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-5047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-5047
  • 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 C430-5047 available by request