E787-0867 Screening compound: ethyl 2-[3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamido]acetate

E787-0867 Screening compound: ethyl 2-[3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamido]acetate
E787-0867 Screening compound: ethyl 2-[3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0867
ethyl 2-[3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamido]acetate

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

E787-0867

Molecular Formula

C24H28N2O7 (C24 H28 N2 O7)

Compound Name

ethyl 2-[3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamido]acetate

IUPAC name

ethyl 2-[3-(1-oxo-23-dihydro-1H-isoindol-2-yl)-3-(345-trimethoxyphenyl)propanamido]acetate

SMILES

CCOC(CNC(CC(c(cc1OC)cc(OC)c1OC)N(Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C24H28N2O7/c1-5-33-22(28)13-25-21(27)12-18(26-14-15-8-6-7-9-17(15)24(26)29)16-10-19(30-2)23(32-4)20(11-16)31-3/h6-11,18H,5,12-14H2,1-4H3,(H,25,27)/t18-/m0/s1

InChI Key

OHBHFQQQQJRCOT-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14919667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.295

Distribution Coefficient, logD

2.295

Water Solubility, LogSw

-3.15

Polar Surface Area

83.584

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

E787-0867 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E787-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0867?
Check Price and Availability of E787-0867, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E787-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0867
  • 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 E787-0867 available by request