C429-0458 Screening compound: 3-[(3-chloro-4-fluorophenyl)amino]-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one

C429-0458 Screening compound: 3-[(3-chloro-4-fluorophenyl)amino]-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one
C429-0458 Screening compound: 3-[(3-chloro-4-fluorophenyl)amino]-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0458
3-[(3-chloro-4-fluorophenyl)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

C429-0458

Molecular Formula

C21H15Cl2FN2O (C21 H15 Cl2 FN2 O)

Compound Name

3-[(3-chloro-4-fluorophenyl)amino]-2-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[(3-chloro-4-fluorophenyl)amino]-2-[(2-chlorophenyl)methyl]-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c2cccc1)N(Cc(cccc1)c1Cl)C2Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C21H15Cl2FN2O/c22-17-8-4-1-5-13(17)12-26-20(15-6-2-3-7-16(15)21(26)27)25-14-9-10-19(24)18(23)11-14/h1-11,20,25H,12H2/t20-/m0/s1

InChI Key

MIMRKZGILNOLGN-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14756141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.659

Distribution Coefficient, logD

5.659

Water Solubility, LogSw

-5.96

Polar Surface Area

25.002

Acid Dissociation Constant (pKa)

14.23

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

C429-0458 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C429-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0458?
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What is the minimum amount of C429-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0458
  • 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 C429-0458 available by request