C612-0642 Screening compound: N-(3-chloro-2-methylphenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide

C612-0642 Screening compound: N-(3-chloro-2-methylphenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide
C612-0642 Screening compound: N-(3-chloro-2-methylphenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0642
N-(3-chloro-2-methylphenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide

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

C612-0642

Molecular Formula

C19H19ClN2O2 (C19 H19 ClN2 O2)

Compound Name

N-(3-chloro-2-methylphenyl)-3-oxo-2-propyl-2,3-dihydro-1H-isoindole-4-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-3-oxo-2-propyl-23-dihydro-1H-isoindole-4-carboxamide

SMILES

CCCN(Cc1cccc(C(Nc2cccc(Cl)c2C)=O)c11)C1=O

InChI

InChI=1S/C19H19ClN2O2/c1-3-10-22-11-13-6-4-7-14(17(13)19(22)24)18(23)21-16-9-5-8-15(20)12(16)2/h4-9H,3,10-11H2,1-2H3,(H,21,23)

InChI Key

AZUVLAYTZOEYBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14775716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.167

Distribution Coefficient, logD

4.157

Water Solubility, LogSw

-4.69

Polar Surface Area

39.528

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C612-0642 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C612-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0642?
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What is the minimum amount of C612-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0642
  • 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 C612-0642 available by request