C612-0504 Screening compound: 2-benzyl-3-[(5-chloro-2-methoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C612-0504 Screening compound: 2-benzyl-3-[(5-chloro-2-methoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C612-0504 Screening compound: 2-benzyl-3-[(5-chloro-2-methoxyphenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0504
2-benzyl-3-[(5-chloro-2-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

C612-0504

Molecular Formula

C22H19ClN2O2 (C22 H19 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(Cl)c1)c1NC(c1c2cccc1)N(Cc1ccccc1)C2=O

InChI

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

InChI Key

ZRLCJMVEVDHSRX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14775642

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

4.704

Distribution Coefficient, logD

4.704

Water Solubility, LogSw

-4.85

Polar Surface Area

31.935

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C612-0504 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 C612-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0504?
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What is the minimum amount of C612-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0504
  • 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 C612-0504 available by request