C429-0490 Screening compound: 2-[(2-chlorophenyl)methyl]-3-{[2-(pyridin-3-yl)-1H-1,3-benzodiazol-5-yl]amino}-2,3-dihydro-1H-isoindol-1-one

C429-0490 Screening compound: 2-[(2-chlorophenyl)methyl]-3-{[2-(pyridin-3-yl)-1H-1,3-benzodiazol-5-yl]amino}-2,3-dihydro-1H-isoindol-1-one
C429-0490 Screening compound: 2-[(2-chlorophenyl)methyl]-3-{[2-(pyridin-3-yl)-1H-1,3-benzodiazol-5-yl]amino}-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0490
2-[(2-chlorophenyl)methyl]-3-{[2-(pyridin-3-yl)-1H-1,3-benzodiazol-5-yl]amino}-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

C429-0490

Molecular Formula

C27H20ClN5O (C27 H20 ClN5 O)

Compound Name

2-[(2-chlorophenyl)methyl]-3-{[2-(pyridin-3-yl)-1H-1,3-benzodiazol-5-yl]amino}-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[(2-chlorophenyl)methyl]-3-{[2-(pyridin-3-yl)-1H-13-benzodiazol-5-yl]amino}-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c2cccc1)N(Cc(cccc1)c1Cl)C2Nc(cc1)cc2c1[nH]c(-c1cnccc1)n2

InChI

InChI=1S/C27H20ClN5O/c28-22-10-4-1-6-18(22)16-33-26(20-8-2-3-9-21(20)27(33)34)30-19-11-12-23-24(14-19)32-25(31-23)17-7-5-13-29-15-17/h1-15,26,30H,16H2,(H,31,32)/t26-/m0/s1

InChI Key

WCBASJGUKLOEIF-SANMLTNESA-N

MDL Number (MFCD)

MFCD14756170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

4.670

Water Solubility, LogSw

-5.45

Polar Surface Area

53.539

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.40

C429-0490 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C429-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0490?
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What is the minimum amount of C429-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0490
  • 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 C429-0490 available by request