C612-0358 Screening compound: 2-benzyl-3-[(4-methylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C612-0358 Screening compound: 2-benzyl-3-[(4-methylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C612-0358 Screening compound: 2-benzyl-3-[(4-methylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0358
2-benzyl-3-[(4-methylphenyl)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

C612-0358

Molecular Formula

C22H20N2O (C22 H20 N2 O)

Compound Name

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

IUPAC name

2-benzyl-3-[(4-methylphenyl)amino]-23-dihydro-1H-isoindol-1-one

SMILES

Cc(cc1)ccc1NC(c1c2cccc1)N(Cc1ccccc1)C2=O

InChI

InChI=1S/C22H20N2O/c1-16-11-13-18(14-12-16)23-21-19-9-5-6-10-20(19)22(25)24(21)15-17-7-3-2-4-8-17/h2-14,21,23H,15H2,1H3/t21-/m1/s1

InChI Key

JXMWZAWIHZBLOO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14775550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

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

4.654

Distribution Coefficient, logD

4.654

Water Solubility, LogSw

-4.49

Polar Surface Area

25.002

Acid Dissociation Constant (pKa)

17.78

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C612-0358 in Drug Discovery

Included in Screening Libraries

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 C612-0358 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0358?
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What is the minimum amount of C612-0358 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0358
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0358
  • 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 C612-0358 available by request