E612-1491 Screening compound: ethyl 2-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]acetate

E612-1491 Screening compound: ethyl 2-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]acetate
E612-1491 Screening compound: ethyl 2-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1491
ethyl 2-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]acetate

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

E612-1491

Molecular Formula

C14H16N2O4 (C14 H16 N2 O4)

Compound Name

ethyl 2-[2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]acetate

IUPAC name

ethyl 2-[2-(1-oxo-23-dihydro-1H-isoindol-2-yl)acetamido]acetate

SMILES

CCOC(CNC(CN(Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C14H16N2O4/c1-2-20-13(18)7-15-12(17)9-16-8-10-5-3-4-6-11(10)14(16)19/h3-6H,2,7-9H2,1H3,(H,15,17)

InChI Key

FFHSZKGQWNKVPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14903758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.781

Distribution Coefficient, logD

0.781

Water Solubility, LogSw

-2.39

Polar Surface Area

61.787

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

E612-1491 in Drug Discovery

Included in Screening Libraries

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 E612-1491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1491?
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What is the minimum amount of E612-1491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1491
  • 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 E612-1491 available by request