C612-0498 Screening compound: 2-benzyl-3-[(2,3-dichlorophenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C612-0498 Screening compound: 2-benzyl-3-[(2,3-dichlorophenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C612-0498 Screening compound: 2-benzyl-3-[(2,3-dichlorophenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0498
2-benzyl-3-[(2,3-dichlorophenyl)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

C612-0498

Molecular Formula

C21H16Cl2N2O (C21 H16 Cl2 N2 O)

Compound Name

2-benzyl-3-[(2,3-dichlorophenyl)amino]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-benzyl-3-[(23-dichlorophenyl)amino]-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c2cccc1)N(Cc1ccccc1)C2Nc1cccc(Cl)c1Cl

InChI

InChI=1S/C21H16Cl2N2O/c22-17-11-6-12-18(19(17)23)24-20-15-9-4-5-10-16(15)21(26)25(20)13-14-7-2-1-3-8-14/h1-12,20,24H,13H2/t20-/m0/s1

InChI Key

RFLXHYBNDADFRR-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14775639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.417

Distribution Coefficient, logD

5.417

Water Solubility, LogSw

-5.94

Polar Surface Area

24.304

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

C612-0498 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antibacterial Compounds Library (13827 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C612-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0498?
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What is the minimum amount of C612-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0498
  • 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 C612-0498 available by request