C612-0485 Screening compound: 2-benzyl-3-[(5-chloro-2,4-dimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C612-0485 Screening compound: 2-benzyl-3-[(5-chloro-2,4-dimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C612-0485 Screening compound: 2-benzyl-3-[(5-chloro-2,4-dimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0485
2-benzyl-3-[(5-chloro-2,4-dimethoxyphenyl)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

C612-0485

Molecular Formula

C23H21ClN2O3 (C23 H21 ClN2 O3)

Compound Name

2-benzyl-3-[(5-chloro-2,4-dimethoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-benzyl-3-[(5-chloro-24-dimethoxyphenyl)amino]-23-dihydro-1H-isoindol-1-one

SMILES

COc(c(NC(c1c2cccc1)N(Cc1ccccc1)C2=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C23H21ClN2O3/c1-28-20-13-21(29-2)19(12-18(20)24)25-22-16-10-6-7-11-17(16)23(27)26(22)14-15-8-4-3-5-9-15/h3-13,22,25H,14H2,1-2H3/t22-/m0/s1

InChI Key

OFLZHQKIAQNBSO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14775632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.750

Distribution Coefficient, logD

4.750

Water Solubility, LogSw

-4.92

Polar Surface Area

39.565

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C612-0485 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C612-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0485?
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What is the minimum amount of C612-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0485
  • 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 C612-0485 available by request