E612-0606 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

E612-0606 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide
E612-0606 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E612-0606
N-[2-(4-ethoxyphenyl)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

E612-0606

Molecular Formula

C27H28N2O3 (C27 H28 N2 O3)

Compound Name

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

IUPAC name

N-[2-(4-ethoxyphenyl)ethyl]-2-(1-oxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanamide

SMILES

CCOc1ccc(CCNC(C(Cc2ccccc2)N(Cc2c3cccc2)C3=O)=O)cc1

InChI

InChI=1S/C27H28N2O3/c1-2-32-23-14-12-20(13-15-23)16-17-28-26(30)25(18-21-8-4-3-5-9-21)29-19-22-10-6-7-11-24(22)27(29)31/h3-15,25H,2,16-19H2,1H3,(H,28,30)/t25-/m0/s1

InChI Key

AZBNEFAKXWCGER-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14903449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.412

Distribution Coefficient, logD

4.412

Water Solubility, LogSw

-4.27

Polar Surface Area

47.354

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

E612-0606 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 E612-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E612-0606?
Check Price and Availability of E612-0606, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E612-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E612-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E612-0606
  • 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 E612-0606 available by request