E612-1271 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylmethanesulfonylpropanamide

E612-1271 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylmethanesulfonylpropanamide
E612-1271 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylmethanesulfonylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1271
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylmethanesulfonylpropanamide

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

E612-1271

Molecular Formula

C26H25ClN2O4S (C26 H25 ClN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CS(Cc1ccccc1)(=O)=O)N(Cc1c2cccc1)C2=O)NCCc(cc1)ccc1Cl

InChI

InChI=1S/C26H25ClN2O4S/c27-22-12-10-19(11-13-22)14-15-28-25(30)24(18-34(32,33)17-20-6-2-1-3-7-20)29-16-21-8-4-5-9-23(21)26(29)31/h1-13,24H,14-18H2,(H,28,30)/t24-/m0/s1

InChI Key

HSUYVSKUSHAETO-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14903732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.93

Polar Surface Area

68.531

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

E612-1271 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E612-1271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1271?
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What is the minimum amount of E612-1271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1271
  • 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 E612-1271 available by request