E787-1020 Screening compound: 2-[1-(4-methylphenyl)-3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-2,3-dihydro-1H-isoindol-1-one

E787-1020 Screening compound: 2-[1-(4-methylphenyl)-3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-2,3-dihydro-1H-isoindol-1-one
E787-1020 Screening compound: 2-[1-(4-methylphenyl)-3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-yl)propyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-1020
2-[1-(4-methylphenyl)-3-oxo-3-(1,2,3,4-tetrahydroisoquinolin-2-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

E787-1020

Molecular Formula

C27H26N2O2 (C27 H26 N2 O2)

Compound Name

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

IUPAC name

2-[1-(4-methylphenyl)-3-oxo-3-(1234-tetrahydroisoquinolin-2-yl)propyl]-23-dihydro-1H-isoindol-1-one

SMILES

Cc1ccc(C(CC(N(CC2)Cc3c2cccc3)=O)N(Cc2c3cccc2)C3=O)cc1

InChI

InChI=1S/C27H26N2O2/c1-19-10-12-21(13-11-19)25(29-18-23-8-4-5-9-24(23)27(29)31)16-26(30)28-15-14-20-6-2-3-7-22(20)17-28/h2-13,25H,14-18H2,1H3/t25-/m0/s1

InChI Key

UOPZVDMOFGAIOB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14919768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.693

Distribution Coefficient, logD

4.693

Water Solubility, LogSw

-4.43

Polar Surface Area

31.759

Acid Dissociation Constant (pKa)

22.24

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

E787-1020 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E787-1020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-1020?
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What is the minimum amount of E787-1020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-1020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-1020
  • 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 E787-1020 available by request