C430-0141 Screening compound: 3-[(3-acetylphenyl)amino]-2-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-1H-isoindol-1-one

C430-0141 Screening compound: 3-[(3-acetylphenyl)amino]-2-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-1H-isoindol-1-one
C430-0141 Screening compound: 3-[(3-acetylphenyl)amino]-2-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0141
3-[(3-acetylphenyl)amino]-2-[(2H-1,3-benzodioxol-5-yl)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

C430-0141

Molecular Formula

C24H20N2O4 (C24 H20 N2 O4)

Compound Name

3-[(3-acetylphenyl)amino]-2-[(2H-1,3-benzodioxol-5-yl)methyl]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[(3-acetylphenyl)amino]-2-[(2H-13-benzodioxol-5-yl)methyl]-23-dihydro-1H-isoindol-1-one

SMILES

CC(c1cccc(NC(c2c3cccc2)N(Cc(cc2)cc4c2OCO4)C3=O)c1)=O

InChI

InChI=1S/C24H20N2O4/c1-15(27)17-5-4-6-18(12-17)25-23-19-7-2-3-8-20(19)24(28)26(23)13-16-9-10-21-22(11-16)30-14-29-21/h2-12,23,25H,13-14H2,1H3/t23-/m1/s1

InChI Key

HRCUOZFWDGXWDA-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14756365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.723

Distribution Coefficient, logD

3.723

Water Solubility, LogSw

-3.99

Polar Surface Area

55.944

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

-1.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C430-0141 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C430-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0141?
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What is the minimum amount of C430-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0141
  • 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 C430-0141 available by request