E612-0105 Screening compound: N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

E612-0105 Screening compound: N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide
E612-0105 Screening compound: N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0105
N-[3-(methylsulfanyl)phenyl]-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

E612-0105

Molecular Formula

C23H20N2O2S (C23 H20 N2 O2 S)

Compound Name

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

IUPAC name

N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-2-phenylacetamide

SMILES

CSc1cc(NC(C(c2ccccc2)N(Cc2c3cccc2)C3=O)=O)ccc1

InChI

InChI=1S/C23H20N2O2S/c1-28-19-12-7-11-18(14-19)24-22(26)21(16-8-3-2-4-9-16)25-15-17-10-5-6-13-20(17)23(25)27/h2-14,21H,15H2,1H3,(H,24,26)/t21-/m1/s1

InChI Key

QPECQRJYYLWVSR-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14903317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.489

Distribution Coefficient, logD

4.489

Water Solubility, LogSw

-4.33

Polar Surface Area

39.103

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

E612-0105 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with E612-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0105?
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What is the minimum amount of E612-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0105
  • 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 E612-0105 available by request