C614-0539 Screening compound: 3-[(3-chloro-4-methylphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

C614-0539 Screening compound: 3-[(3-chloro-4-methylphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one
C614-0539 Screening compound: 3-[(3-chloro-4-methylphenyl)amino]-2-(4-methylpyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0539
3-[(3-chloro-4-methylphenyl)amino]-2-(4-methylpyridin-2-yl)-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

C614-0539

Molecular Formula

C21H18ClN3O (C21 H18 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N(C(c2c3cccc2)Nc2cc(Cl)c(C)cc2)C3=O)ncc1

InChI

InChI=1S/C21H18ClN3O/c1-13-9-10-23-19(11-13)25-20(16-5-3-4-6-17(16)21(25)26)24-15-8-7-14(2)18(22)12-15/h3-12,20,24H,1-2H3/t20-/m0/s1

InChI Key

AJRJNNAUGPVQIU-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14776207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.310

Distribution Coefficient, logD

5.310

Water Solubility, LogSw

-5.83

Polar Surface Area

32.902

Acid Dissociation Constant (pKa)

14.27

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

C614-0539 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 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 C614-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0539?
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What is the minimum amount of C614-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0539
  • 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 C614-0539 available by request