E612-0796 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

E612-0796 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide
E612-0796 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0796
N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

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

E612-0796

Molecular Formula

C25H32N2O4 (C25 H32 N2 O4)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)butanamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-3-methyl-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)butanamide

SMILES

CCOc(ccc(CCNC(C(C(C)C)N(Cc1c2cccc1)C2=O)=O)c1)c1OCC

InChI

InChI=1S/C25H32N2O4/c1-5-30-21-12-11-18(15-22(21)31-6-2)13-14-26-24(28)23(17(3)4)27-16-19-9-7-8-10-20(19)25(27)29/h7-12,15,17,23H,5-6,13-14,16H2,1-4H3,(H,26,28)/t23-/m0/s1

InChI Key

IRDBPTIUTVNBRZ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14903503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.39

Polar Surface Area

54.958

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E612-0796 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E612-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0796?
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What is the minimum amount of E612-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0796
  • 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 E612-0796 available by request