E787-0021 Screening compound: N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

E787-0021 Screening compound: N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide
E787-0021 Screening compound: N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0021
N-[(4-chlorophenyl)methyl]-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

E787-0021

Molecular Formula

C25H23ClN2O3 (C25 H23 ClN2 O3)

Compound Name

N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-3-(4-methoxyphenyl)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanamide

SMILES

COc1ccc(C(CC(NCc(cc2)ccc2Cl)=O)N(Cc2c3cccc2)C3=O)cc1

InChI

InChI=1S/C25H23ClN2O3/c1-31-21-12-8-18(9-13-21)23(28-16-19-4-2-3-5-22(19)25(28)30)14-24(29)27-15-17-6-10-20(26)11-7-17/h2-13,23H,14-16H2,1H3,(H,27,29)/t23-/m0/s1

InChI Key

KVERWWAFROLRHB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14919213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.298

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.84

Polar Surface Area

47.720

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

E787-0021 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E787-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0021?
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What is the minimum amount of E787-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0021
  • 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 E787-0021 available by request