E612-0441 Screening compound: N-[(4-chlorophenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

E612-0441 Screening compound: N-[(4-chlorophenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide
E612-0441 Screening compound: N-[(4-chlorophenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0441
N-[(4-chlorophenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

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

E612-0441

Molecular Formula

C24H21ClN2O2 (C24 H21 ClN2 O2)

Compound Name

N-[(4-chlorophenyl)methyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

SMILES

O=C(C(Cc1ccccc1)N(Cc1c2cccc1)C2=O)NCc(cc1)ccc1Cl

InChI

InChI=1S/C24H21ClN2O2/c25-20-12-10-18(11-13-20)15-26-23(28)22(14-17-6-2-1-3-7-17)27-16-19-8-4-5-9-21(19)24(27)29/h1-13,22H,14-16H2,(H,26,28)/t22-/m0/s1

InChI Key

FEUZNBACWAXFIX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14903372

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

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

4.464

Water Solubility, LogSw

-4.88

Polar Surface Area

40.389

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

E612-0441 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 E612-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0441?
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What is the minimum amount of E612-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0441
  • 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 E612-0441 available by request