C429-0468 Screening compound: 2-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C429-0468 Screening compound: 2-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C429-0468 Screening compound: 2-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0468
2-[(2-chlorophenyl)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

C429-0468

Molecular Formula

C22H19ClN2O2 (C22 H19 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(c2c3cccc2)N(Cc(cccc2)c2Cl)C3=O)c1

InChI

InChI=1S/C22H19ClN2O2/c1-27-17-9-6-8-16(13-17)24-21-18-10-3-4-11-19(18)22(26)25(21)14-15-7-2-5-12-20(15)23/h2-13,21,24H,14H2,1H3/t21-/m0/s1

InChI Key

UENKQHPBUVPIEP-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14756150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.995

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-4.98

Polar Surface Area

32.546

Acid Dissociation Constant (pKa)

16.93

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C429-0468 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C429-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0468?
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What is the minimum amount of C429-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0468
  • 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 C429-0468 available by request