E787-0585 Screening compound: 3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

E787-0585 Screening compound: 3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
E787-0585 Screening compound: 3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0585
3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

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

E787-0585

Molecular Formula

C27H28N2O4 (C27 H28 N2 O4)

Compound Name

3-(3,4-dimethoxyphenyl)-N-(2-ethylphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

IUPAC name

3-(34-dimethoxyphenyl)-N-(2-ethylphenyl)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanamide

SMILES

CCc(cccc1)c1NC(CC(c(cc1)cc(OC)c1OC)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C27H28N2O4/c1-4-18-9-6-8-12-22(18)28-26(30)16-23(19-13-14-24(32-2)25(15-19)33-3)29-17-20-10-5-7-11-21(20)27(29)31/h5-15,23H,4,16-17H2,1-3H3,(H,28,30)/t23-/m0/s1

InChI Key

WTQVCHIDVCBXEE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14919494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

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

4.269

Distribution Coefficient, logD

4.269

Water Solubility, LogSw

-4.29

Polar Surface Area

53.417

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with E787-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0585?
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What is the minimum amount of E787-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0585
  • 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 E787-0585 available by request