E587-0232 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide

E587-0232 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide
E587-0232 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0232
N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide

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

E587-0232

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-({1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({1-[2-oxo-2-(piperidin-1-yl)ethyl]-1H-indol-3-yl}sulfanyl)acetamide

SMILES

O=C(CSc1cn(CC(N2CCCCC2)=O)c2c1cccc2)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H25N3O4S/c28-23(25-17-8-9-20-21(12-17)31-16-30-20)15-32-22-13-27(19-7-3-2-6-18(19)22)14-24(29)26-10-4-1-5-11-26/h2-3,6-9,12-13H,1,4-5,10-11,14-16H2,(H,25,28)

InChI Key

BCHKXQIKFXINBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.367

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-3.48

Polar Surface Area

58.356

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E587-0232 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E587-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0232?
Check Price and Availability of E587-0232, 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 E587-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0232
  • 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 E587-0232 available by request