C429-0478 Screening compound: methyl 2-({2-[(2-chlorophenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoate

C429-0478 Screening compound: methyl 2-({2-[(2-chlorophenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoate
C429-0478 Screening compound: methyl 2-({2-[(2-chlorophenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0478
methyl 2-({2-[(2-chlorophenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoate

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

C429-0478

Molecular Formula

C23H19ClN2O3 (C23 H19 ClN2 O3)

Compound Name

methyl 2-({2-[(2-chlorophenyl)methyl]-3-oxo-2,3-dihydro-1H-isoindol-1-yl}amino)benzoate

IUPAC name

methyl 2-({2-[(2-chlorophenyl)methyl]-3-oxo-23-dihydro-1H-isoindol-1-yl}amino)benzoate

SMILES

COC(c(cccc1)c1NC(c1c2cccc1)N(Cc(cccc1)c1Cl)C2=O)=O

InChI

InChI=1S/C23H19ClN2O3/c1-29-23(28)18-11-5-7-13-20(18)25-21-16-9-3-4-10-17(16)22(27)26(21)14-15-8-2-6-12-19(15)24/h2-13,21,25H,14H2,1H3/t21-/m0/s1

InChI Key

OZBPJFFRSACOLX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14756160

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.880

Distribution Coefficient, logD

4.880

Water Solubility, LogSw

-4.85

Polar Surface Area

45.478

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

C429-0478 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 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 C429-0478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0478?
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What is the minimum amount of C429-0478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0478
  • 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 C429-0478 available by request