C430-0193 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3-ethylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C430-0193 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3-ethylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C430-0193 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3-ethylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0193
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3-ethylphenyl)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

C430-0193

Molecular Formula

C24H22N2O3 (C24 H22 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCc1cccc(NC(c2c3cccc2)N(Cc(cc2)cc4c2OCO4)C3=O)c1

InChI

InChI=1S/C24H22N2O3/c1-2-16-6-5-7-18(12-16)25-23-19-8-3-4-9-20(19)24(27)26(23)14-17-10-11-21-22(13-17)29-15-28-21/h3-13,23,25H,2,14-15H2,1H3/t23-/m1/s1

InChI Key

PMVCWXXIKFMNQM-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14756386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.772

Water Solubility, LogSw

-4.55

Polar Surface Area

42.117

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

C430-0193 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 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 C430-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0193?
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What is the minimum amount of C430-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0193
  • 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 C430-0193 available by request