E787-0673 Screening compound: methyl 4-[3-(3,4-dimethoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate

E787-0673 Screening compound: methyl 4-[3-(3,4-dimethoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate
E787-0673 Screening compound: methyl 4-[3-(3,4-dimethoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0673
methyl 4-[3-(3,4-dimethoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate

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

E787-0673

Molecular Formula

C27H26N2O6 (C27 H26 N2 O6)

Compound Name

methyl 4-[3-(3,4-dimethoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate

IUPAC name

methyl 4-[3-(34-dimethoxyphenyl)-3-(1-oxo-23-dihydro-1H-isoindol-2-yl)propanamido]benzoate

SMILES

COC(c(cc1)ccc1NC(CC(c(cc1)cc(OC)c1OC)N(Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C27H26N2O6/c1-33-23-13-10-18(14-24(23)34-2)22(29-16-19-6-4-5-7-21(19)26(29)31)15-25(30)28-20-11-8-17(9-12-20)27(32)35-3/h4-14,22H,15-16H2,1-3H3,(H,28,30)/t22-/m0/s1

InChI Key

IYHALSRZDKZBCY-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14919565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-4.02

Polar Surface Area

75.288

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with E787-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0673?
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What is the minimum amount of E787-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0673
  • 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 E787-0673 available by request