C429-0489 Screening compound: 3-{[4-(1H-1,3-benzodiazol-2-yl)phenyl]amino}-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one

C429-0489 Screening compound: 3-{[4-(1H-1,3-benzodiazol-2-yl)phenyl]amino}-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one
C429-0489 Screening compound: 3-{[4-(1H-1,3-benzodiazol-2-yl)phenyl]amino}-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0489
3-{[4-(1H-1,3-benzodiazol-2-yl)phenyl]amino}-2-[(2-chlorophenyl)methyl]-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

C429-0489

Molecular Formula

C28H21ClN4O (C28 H21 ClN4 O)

Compound Name

3-{[4-(1H-1,3-benzodiazol-2-yl)phenyl]amino}-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-{[4-(1H-13-benzodiazol-2-yl)phenyl]amino}-2-[(2-chlorophenyl)methyl]-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c2cccc1)N(Cc(cccc1)c1Cl)C2Nc(cc1)ccc1-c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C28H21ClN4O/c29-23-10-4-1-7-19(23)17-33-27(21-8-2-3-9-22(21)28(33)34)30-20-15-13-18(14-16-20)26-31-24-11-5-6-12-25(24)32-26/h1-16,27,30H,17H2,(H,31,32)/t27-/m0/s1

InChI Key

OMIVQSKNPMNZND-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14756169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.95

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.380

Distribution Coefficient, logD

6.378

Water Solubility, LogSw

-6.14

Polar Surface Area

44.021

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.10

C429-0489 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C429-0489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0489?
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What is the minimum amount of C429-0489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0489
  • 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 C429-0489 available by request