C429-0506 Screening compound: 2-[(2-chlorophenyl)methyl]-3-[(2,3,5,6-tetrafluorophenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C429-0506 Screening compound: 2-[(2-chlorophenyl)methyl]-3-[(2,3,5,6-tetrafluorophenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C429-0506 Screening compound: 2-[(2-chlorophenyl)methyl]-3-[(2,3,5,6-tetrafluorophenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0506
2-[(2-chlorophenyl)methyl]-3-[(2,3,5,6-tetrafluorophenyl)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

C429-0506

Molecular Formula

C21H13ClF4N2O (C21 H13 ClF4 N2 O)

Compound Name

2-[(2-chlorophenyl)methyl]-3-[(2,3,5,6-tetrafluorophenyl)amino]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[(2-chlorophenyl)methyl]-3-[(2356-tetrafluorophenyl)amino]-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c2cccc1)N(Cc(cccc1)c1Cl)C2Nc(c(F)c(cc1F)F)c1F

InChI

InChI=1S/C21H13ClF4N2O/c22-14-8-4-1-5-11(14)10-28-20(12-6-2-3-7-13(12)21(28)29)27-19-17(25)15(23)9-16(24)18(19)26/h1-9,20,27H,10H2/t20-/m0/s1

InChI Key

DHMYBHXMXXJSOV-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14756182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.79

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

5.243

Distribution Coefficient, logD

5.243

Water Solubility, LogSw

-5.59

Polar Surface Area

23.606

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

C429-0506 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)

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 C429-0506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0506?
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What is the minimum amount of C429-0506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0506
  • 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 C429-0506 available by request