E787-1044 Screening compound: 2-[1-(4-methylphenyl)-3-oxo-3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydro-1H-isoindol-1-one

E787-1044 Screening compound: 2-[1-(4-methylphenyl)-3-oxo-3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydro-1H-isoindol-1-one
E787-1044 Screening compound: 2-[1-(4-methylphenyl)-3-oxo-3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-1044
2-[1-(4-methylphenyl)-3-oxo-3-(4-propylpiperazin-1-yl)propyl]-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

E787-1044

Molecular Formula

C25H31N3O2 (C25 H31 N3 O2)

Compound Name

2-[1-(4-methylphenyl)-3-oxo-3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydro-1H-isoindol-1-one

IUPAC name

2-[1-(4-methylphenyl)-3-oxo-3-(4-propylpiperazin-1-yl)propyl]-23-dihydro-1H-isoindol-1-one

SMILES

CCCN(CC1)CCN1C(CC(c1ccc(C)cc1)N(Cc1c2cccc1)C2=O)=O

InChI

InChI=1S/C25H31N3O2/c1-3-12-26-13-15-27(16-14-26)24(29)17-23(20-10-8-19(2)9-11-20)28-18-21-6-4-5-7-22(21)25(28)30/h4-11,23H,3,12-18H2,1-2H3/t23-/m0/s1

InChI Key

ILNYNZHZPSMQSE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14919787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

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

3.365

Distribution Coefficient, logD

3.035

Water Solubility, LogSw

-3.51

Polar Surface Area

35.887

Acid Dissociation Constant (pKa)

22.49

Base Dissociation Constant (pKb)

7.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E787-1044 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system

References: we are preparing a list of scientific research reports with E787-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-1044?
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What is the minimum amount of E787-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-1044
  • 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 E787-1044 available by request