E787-0833 Screening compound: 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(pyridin-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

E787-0833 Screening compound: 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(pyridin-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
E787-0833 Screening compound: 3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(pyridin-3-yl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0833
3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-N-[(pyridin-3-yl)methyl]-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

E787-0833

Molecular Formula

C26H27N3O5 (C26 H27 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(C(CC(NCc2cnccc2)=O)N(Cc2c3cccc2)C3=O)cc(OC)c1OC

InChI

InChI=1S/C26H27N3O5/c1-32-22-11-19(12-23(33-2)25(22)34-3)21(13-24(30)28-15-17-7-6-10-27-14-17)29-16-18-8-4-5-9-20(18)26(29)31/h4-12,14,21H,13,15-16H2,1-3H3,(H,28,30)/t21-/m0/s1

InChI Key

JSTWBTQFKCPGIU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14919636

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.246

Distribution Coefficient, logD

2.244

Water Solubility, LogSw

-2.96

Polar Surface Area

72.672

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with E787-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0833?
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What is the minimum amount of E787-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0833
  • 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 E787-0833 available by request