E787-1041 Screening compound: 2-[3-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one

E787-1041 Screening compound: 2-[3-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one
E787-1041 Screening compound: 2-[3-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-1041
2-[3-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one

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

E787-1041

Molecular Formula

C29H31N3O2 (C29 H31 N3 O2)

Compound Name

2-[3-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[3-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]-23-dihydro-1H-isoindol-1-one

SMILES

Cc1ccc(C(CC(N2CCN(Cc3ccccc3)CC2)=O)N(Cc2c3cccc2)C3=O)cc1

InChI

InChI=1S/C29H31N3O2/c1-22-11-13-24(14-12-22)27(32-21-25-9-5-6-10-26(25)29(32)34)19-28(33)31-17-15-30(16-18-31)20-23-7-3-2-4-8-23/h2-14,27H,15-21H2,1H3/t27-/m0/s1

InChI Key

BBCDRQAVWYVIHJ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14919784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.051

Distribution Coefficient, logD

4.018

Water Solubility, LogSw

-4.12

Polar Surface Area

35.637

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.00

E787-1041 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 E787-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-1041?
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What is the minimum amount of E787-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-1041
  • 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 E787-1041 available by request