E787-0805 Screening compound: 3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-phenylpropanamide

E787-0805 Screening compound: 3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-phenylpropanamide
E787-0805 Screening compound: 3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0805
3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-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

E787-0805

Molecular Formula

C26H26N2O4 (C26 H26 N2 O4)

Compound Name

3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-phenylpropanamide

IUPAC name

3-(4-ethoxy-3-methoxyphenyl)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-N-phenylpropanamide

SMILES

CCOc(ccc(C(CC(Nc1ccccc1)=O)N(Cc1c2cccc1)C2=O)c1)c1OC

InChI

InChI=1S/C26H26N2O4/c1-3-32-23-14-13-18(15-24(23)31-2)22(16-25(29)27-20-10-5-4-6-11-20)28-17-19-9-7-8-12-21(19)26(28)30/h4-15,22H,3,16-17H2,1-2H3,(H,27,29)/t22-/m0/s1

InChI Key

IEHOKHKBGRXXGL-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14919630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.923

Water Solubility, LogSw

-3.99

Polar Surface Area

53.694

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with E787-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0805?
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What is the minimum amount of E787-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0805
  • 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 E787-0805 available by request