C429-0530 Screening compound: 2-[(2-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C429-0530 Screening compound: 2-[(2-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C429-0530 Screening compound: 2-[(2-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0530
2-[(2-chlorophenyl)methyl]-3-[(3,4-dimethylphenyl)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

C429-0530

Molecular Formula

C23H21ClN2O (C23 H21 ClN2 O)

Compound Name

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

IUPAC name

2-[(2-chlorophenyl)methyl]-3-[(34-dimethylphenyl)amino]-23-dihydro-1H-isoindol-1-one

SMILES

Cc(cc1)c(C)cc1NC(c1c2cccc1)N(Cc(cccc1)c1Cl)C2=O

InChI

InChI=1S/C23H21ClN2O/c1-15-11-12-18(13-16(15)2)25-22-19-8-4-5-9-20(19)23(27)26(22)14-17-7-3-6-10-21(17)24/h3-13,22,25H,14H2,1-2H3/t22-/m0/s1

InChI Key

OIRKEVKYSLQHDR-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14756196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.89

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

5.916

Distribution Coefficient, logD

5.916

Water Solubility, LogSw

-5.89

Polar Surface Area

25.002

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C429-0530 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 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 C429-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0530?
Check Price and Availability of C429-0530, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C429-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0530
  • 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 C429-0530 available by request