E612-0194 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

E612-0194 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide
E612-0194 Screening compound: N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0194
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

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

E612-0194

Molecular Formula

C25H24N2O2S (C25 H24 N2 O2 S)

Compound Name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

IUPAC name

N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

SMILES

CSc1ccc(CCNC(C(c2ccccc2)N(Cc2c3cccc2)C3=O)=O)cc1

InChI

InChI=1S/C25H24N2O2S/c1-30-21-13-11-18(12-14-21)15-16-26-24(28)23(19-7-3-2-4-8-19)27-17-20-9-5-6-10-22(20)25(27)29/h2-14,23H,15-17H2,1H3,(H,26,28)/t23-/m1/s1

InChI Key

FWDRWXBWDKGNPM-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14903355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.28

Polar Surface Area

40.266

Acid Dissociation Constant (pKa)

13.77

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

E612-0194 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E612-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0194?
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What is the minimum amount of E612-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0194
  • 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 E612-0194 available by request