C614-0337 Screening compound: 3-[(5-chloro-2,4-dimethoxyphenyl)amino]-2-(4-chlorophenyl)-2,3-dihydro-1H-isoindol-1-one

C614-0337 Screening compound: 3-[(5-chloro-2,4-dimethoxyphenyl)amino]-2-(4-chlorophenyl)-2,3-dihydro-1H-isoindol-1-one
C614-0337 Screening compound: 3-[(5-chloro-2,4-dimethoxyphenyl)amino]-2-(4-chlorophenyl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0337
3-[(5-chloro-2,4-dimethoxyphenyl)amino]-2-(4-chlorophenyl)-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

C614-0337

Molecular Formula

C22H18Cl2N2O3 (C22 H18 Cl2 N2 O3)

Compound Name

3-[(5-chloro-2,4-dimethoxyphenyl)amino]-2-(4-chlorophenyl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[(5-chloro-24-dimethoxyphenyl)amino]-2-(4-chlorophenyl)-23-dihydro-1H-isoindol-1-one

SMILES

COc(c(NC(c(cccc1)c1C1=O)N1c(cc1)ccc1Cl)c1)cc(OC)c1Cl

InChI

InChI=1S/C22H18Cl2N2O3/c1-28-19-12-20(29-2)18(11-17(19)24)25-21-15-5-3-4-6-16(15)22(27)26(21)14-9-7-13(23)8-10-14/h3-12,21,25H,1-2H3/t21-/m0/s1

InChI Key

VUDHLUSQDZPNSJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14776138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.303

Distribution Coefficient, logD

5.303

Water Solubility, LogSw

-5.86

Polar Surface Area

38.953

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C614-0337 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C614-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0337?
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What is the minimum amount of C614-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0337
  • 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 C614-0337 available by request