E787-0879 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide

E787-0879 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
E787-0879 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0879
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-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

E787-0879

Molecular Formula

C28H28N2O7 (C28 H28 N2 O7)

Compound Name

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

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-3-(345-trimethoxyphenyl)propanamide

SMILES

COc1cc(C(CC(NCc(cc2)cc3c2OCO3)=O)N(Cc2c3cccc2)C3=O)cc(OC)c1OC

InChI

InChI=1S/C28H28N2O7/c1-33-24-11-19(12-25(34-2)27(24)35-3)21(30-15-18-6-4-5-7-20(18)28(30)32)13-26(31)29-14-17-8-9-22-23(10-17)37-16-36-22/h4-12,21H,13-16H2,1-3H3,(H,29,31)/t21-/m0/s1

InChI Key

GMZHSXYNDWGHQQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14919677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.387

Distribution Coefficient, logD

3.387

Water Solubility, LogSw

-3.75

Polar Surface Area

80.269

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with E787-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0879?
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What is the minimum amount of E787-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0879
  • 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 E787-0879 available by request