E612-1617 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

E612-1617 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamide
E612-1617 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-1617
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

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

E612-1617

Molecular Formula

C22H26N2O4 (C22 H26 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CCNC(CN(Cc1c2cccc1)C2=O)=O)c1)c1OCC

InChI

InChI=1S/C22H26N2O4/c1-3-27-19-10-9-16(13-20(19)28-4-2)11-12-23-21(25)15-24-14-17-7-5-6-8-18(17)22(24)26/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,23,25)

InChI Key

BIHWBVXSCITKON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14903826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.743

Distribution Coefficient, logD

1.743

Water Solubility, LogSw

-2.79

Polar Surface Area

55.618

Acid Dissociation Constant (pKa)

14.64

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E612-1617 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E612-1617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-1617?
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What is the minimum amount of E612-1617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-1617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-1617
  • 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 E612-1617 available by request