E787-0985 Screening compound: N-(4-chlorophenyl)-3-(4-methylphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

E787-0985 Screening compound: N-(4-chlorophenyl)-3-(4-methylphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
E787-0985 Screening compound: N-(4-chlorophenyl)-3-(4-methylphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0985
N-(4-chlorophenyl)-3-(4-methylphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

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

E787-0985

Molecular Formula

C24H21ClN2O2 (C24 H21 ClN2 O2)

Compound Name

N-(4-chlorophenyl)-3-(4-methylphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

IUPAC name

N-(4-chlorophenyl)-3-(4-methylphenyl)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanamide

SMILES

Cc1ccc(C(CC(Nc(cc2)ccc2Cl)=O)N(Cc2c3cccc2)C3=O)cc1

InChI

InChI=1S/C24H21ClN2O2/c1-16-6-8-17(9-7-16)22(14-23(28)26-20-12-10-19(25)11-13-20)27-15-18-4-2-3-5-21(18)24(27)29/h2-13,22H,14-15H2,1H3,(H,26,28)/t22-/m0/s1

InChI Key

ZOOCOWPQSSASAT-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14919741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.123

Distribution Coefficient, logD

5.122

Water Solubility, LogSw

-5.51

Polar Surface Area

38.854

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

E787-0985 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with E787-0985 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0985?
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What is the minimum amount of E787-0985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0985
  • 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 E787-0985 available by request