C430-0413 Screening compound: 3-[(2,3-dimethylphenyl)amino]-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one

C430-0413 Screening compound: 3-[(2,3-dimethylphenyl)amino]-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one
C430-0413 Screening compound: 3-[(2,3-dimethylphenyl)amino]-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0413
3-[(2,3-dimethylphenyl)amino]-2-(pyridin-3-yl)-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

C430-0413

Molecular Formula

C21H19N3O (C21 H19 N3 O)

Compound Name

3-[(2,3-dimethylphenyl)amino]-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[(23-dimethylphenyl)amino]-2-(pyridin-3-yl)-23-dihydro-1H-isoindol-1-one

SMILES

Cc1cccc(NC(c(cccc2)c2C2=O)N2c2cnccc2)c1C

InChI

InChI=1S/C21H19N3O/c1-14-7-5-11-19(15(14)2)23-20-17-9-3-4-10-18(17)21(25)24(20)16-8-6-12-22-13-16/h3-13,20,23H,1-2H3/t20-/m1/s1

InChI Key

JIRSFJQJQKKCFE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14756518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

4.055

Water Solubility, LogSw

-4.01

Polar Surface Area

33.210

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

C430-0413 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C430-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0413?
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What is the minimum amount of C430-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0413
  • 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 C430-0413 available by request