C614-0334 Screening compound: 2-(4-chlorophenyl)-3-[(2-ethylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

C614-0334 Screening compound: 2-(4-chlorophenyl)-3-[(2-ethylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one
C614-0334 Screening compound: 2-(4-chlorophenyl)-3-[(2-ethylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0334
2-(4-chlorophenyl)-3-[(2-ethylphenyl)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

C614-0334

Molecular Formula

C22H19ClN2O (C22 H19 ClN2 O)

Compound Name

2-(4-chlorophenyl)-3-[(2-ethylphenyl)amino]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-(4-chlorophenyl)-3-[(2-ethylphenyl)amino]-23-dihydro-1H-isoindol-1-one

SMILES

CCc(cccc1)c1NC(c(cccc1)c1C1=O)N1c(cc1)ccc1Cl

InChI

InChI=1S/C22H19ClN2O/c1-2-15-7-3-6-10-20(15)24-21-18-8-4-5-9-19(18)22(26)25(21)17-13-11-16(23)12-14-17/h3-14,21,24H,2H2,1H3/t21-/m0/s1

InChI Key

KWSWMLPLGSBXBV-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14776136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.86

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

5.501

Distribution Coefficient, logD

5.501

Water Solubility, LogSw

-5.94

Polar Surface Area

23.693

Acid Dissociation Constant (pKa)

16.70

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C614-0334 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 C614-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0334?
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What is the minimum amount of C614-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0334
  • 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 C614-0334 available by request