E787-0121 Screening compound: methyl 4-[3-(4-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate

E787-0121 Screening compound: methyl 4-[3-(4-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate
E787-0121 Screening compound: methyl 4-[3-(4-methoxyphenyl)-3-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E787-0121
methyl 4-[3-(4-methoxyphenyl)-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

E787-0121

Molecular Formula

C26H24N2O5 (C26 H24 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(CC(c(cc1)ccc1OC)N(Cc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C26H24N2O5/c1-32-21-13-9-17(10-14-21)23(28-16-19-5-3-4-6-22(19)25(28)30)15-24(29)27-20-11-7-18(8-12-20)26(31)33-2/h3-14,23H,15-16H2,1-2H3,(H,27,29)/t23-/m0/s1

InChI Key

SEAYZKOQFYJVBJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14919272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.178

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-4.28

Polar Surface Area

67.571

Acid Dissociation Constant (pKa)

10.16

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

E787-0121 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E787-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E787-0121?
Check Price and Availability of E787-0121, 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 E787-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E787-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E787-0121
  • 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 E787-0121 available by request