C430-0122 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3-methoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C430-0122 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3-methoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C430-0122 Screening compound: 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3-methoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0122
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3-methoxyphenyl)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

C430-0122

Molecular Formula

C23H20N2O4 (C23 H20 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(c2c3cccc2)N(Cc(cc2)cc4c2OCO4)C3=O)c1

InChI

InChI=1S/C23H20N2O4/c1-27-17-6-4-5-16(12-17)24-22-18-7-2-3-8-19(18)23(26)25(22)13-15-9-10-20-21(11-15)29-14-28-20/h2-12,22,24H,13-14H2,1H3/t22-/m1/s1

InChI Key

UICPUKJCOXTFPB-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14756350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.048

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.23

Polar Surface Area

49.661

Acid Dissociation Constant (pKa)

16.93

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C430-0122 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Targeted Diversity Library (40567 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 C430-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0122?
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What is the minimum amount of C430-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0122
  • 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 C430-0122 available by request