E787-0956 Screening compound: 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[2-(pyrrolidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

E787-0956 Screening compound: 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[2-(pyrrolidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
E787-0956 Screening compound: 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[2-(pyrrolidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0956
3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[2-(pyrrolidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)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

E787-0956

Molecular Formula

C26H33N3O5 (C26 H33 N3 O5)

Compound Name

3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[2-(pyrrolidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)propanamide

IUPAC name

3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-N-[2-(pyrrolidin-1-yl)ethyl]-3-(345-trimethoxyphenyl)propanamide

SMILES

COc1cc(C(CC(NCCN2CCCC2)=O)N(Cc2c3cccc2)C3=O)cc(OC)c1OC

InChI

InChI=1S/C26H33N3O5/c1-32-22-14-19(15-23(33-2)25(22)34-3)21(16-24(30)27-10-13-28-11-6-7-12-28)29-17-18-8-4-5-9-20(18)26(29)31/h4-5,8-9,14-15,21H,6-7,10-13,16-17H2,1-3H3,(H,27,30)/t21-/m0/s1

InChI Key

VCWZJIBIJPBXBF-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14919727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.130

Distribution Coefficient, logD

-0.026

Water Solubility, LogSw

-3.16

Polar Surface Area

67.344

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

9.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

References: we are preparing a list of scientific research reports with E787-0956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0956?
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What is the minimum amount of E787-0956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0956
  • 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 E787-0956 available by request