E612-0589 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

E612-0589 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide
E612-0589 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0589
N-[2-(3,4-diethoxyphenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

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

E612-0589

Molecular Formula

C29H32N2O4 (C29 H32 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CCNC(C(Cc1ccccc1)N(Cc1c2cccc1)C2=O)=O)c1)c1OCC

InChI

InChI=1S/C29H32N2O4/c1-3-34-26-15-14-22(19-27(26)35-4-2)16-17-30-28(32)25(18-21-10-6-5-7-11-21)31-20-23-12-8-9-13-24(23)29(31)33/h5-15,19,25H,3-4,16-18,20H2,1-2H3,(H,30,32)/t25-/m0/s1

InChI Key

IEBULGOVRQHXEI-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14903444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.051

Distribution Coefficient, logD

4.051

Water Solubility, LogSw

-4.16

Polar Surface Area

54.651

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

E612-0589 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E612-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0589?
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What is the minimum amount of E612-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0589
  • 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 E612-0589 available by request