C429-0493 Screening compound: 2-[(2-chlorophenyl)methyl]-3-{[4-(morpholine-4-sulfonyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one

C429-0493 Screening compound: 2-[(2-chlorophenyl)methyl]-3-{[4-(morpholine-4-sulfonyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one
C429-0493 Screening compound: 2-[(2-chlorophenyl)methyl]-3-{[4-(morpholine-4-sulfonyl)phenyl]amino}-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0493
2-[(2-chlorophenyl)methyl]-3-{[4-(morpholine-4-sulfonyl)phenyl]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

C429-0493

Molecular Formula

C25H24ClN3O4S (C25 H24 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c2cccc1)N(Cc(cccc1)c1Cl)C2Nc(cc1)ccc1S(N1CCOCC1)(=O)=O

InChI

InChI=1S/C25H24ClN3O4S/c26-23-8-4-1-5-18(23)17-29-24(21-6-2-3-7-22(21)25(29)30)27-19-9-11-20(12-10-19)34(31,32)28-13-15-33-16-14-28/h1-12,24,27H,13-17H2/t24-/m0/s1

InChI Key

PZGPDYRGJLEHPT-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14756173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.157

Distribution Coefficient, logD

4.157

Water Solubility, LogSw

-4.41

Polar Surface Area

64.621

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

-2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C429-0493 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C429-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0493?
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What is the minimum amount of C429-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0493
  • 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 C429-0493 available by request