E787-0037 Screening compound: N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

E787-0037 Screening compound: N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
E787-0037 Screening compound: N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0037
N-(4-fluorophenyl)-3-(4-methoxyphenyl)-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

E787-0037

Molecular Formula

C24H21FN2O3 (C24 H21 FN2 O3)

Compound Name

N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

IUPAC name

N-(4-fluorophenyl)-3-(4-methoxyphenyl)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanamide

SMILES

COc1ccc(C(CC(Nc(cc2)ccc2F)=O)N(Cc2c3cccc2)C3=O)cc1

InChI

InChI=1S/C24H21FN2O3/c1-30-20-12-6-16(7-13-20)22(14-23(28)26-19-10-8-18(25)9-11-19)27-15-17-4-2-3-5-21(17)24(27)29/h2-13,22H,14-15H2,1H3,(H,26,28)/t22-/m0/s1

InChI Key

DXRVPLOJJLMXTI-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14919226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.117

Distribution Coefficient, logD

4.116

Water Solubility, LogSw

-4.29

Polar Surface Area

46.397

Acid Dissociation Constant (pKa)

10.05

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

E787-0037 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with E787-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0037?
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What is the minimum amount of E787-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0037
  • 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 E787-0037 available by request