E587-0263 Screening compound: 2-[3-(benzylsulfanyl)-1H-indol-1-yl]-1-(piperidin-1-yl)ethan-1-one

E587-0263 Screening compound: 2-[3-(benzylsulfanyl)-1H-indol-1-yl]-1-(piperidin-1-yl)ethan-1-one
E587-0263 Screening compound: 2-[3-(benzylsulfanyl)-1H-indol-1-yl]-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0263
2-[3-(benzylsulfanyl)-1H-indol-1-yl]-1-(piperidin-1-yl)ethan-1-one

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

E587-0263

Molecular Formula

C22H24N2OS (C22 H24 N2 OS)

Compound Name

2-[3-(benzylsulfanyl)-1H-indol-1-yl]-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-[3-(benzylsulfanyl)-1H-indol-1-yl]-1-(piperidin-1-yl)ethan-1-one

SMILES

O=C(Cn1c(cccc2)c2c(SCc2ccccc2)c1)N1CCCCC1

InChI

InChI=1S/C22H24N2OS/c25-22(23-13-7-2-8-14-23)16-24-15-21(19-11-5-6-12-20(19)24)26-17-18-9-3-1-4-10-18/h1,3-6,9-12,15H,2,7-8,13-14,16-17H2

InChI Key

IAJAHFZQBCSVNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.859

Distribution Coefficient, logD

3.859

Water Solubility, LogSw

-3.79

Polar Surface Area

18.091

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

E587-0263 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E587-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0263?
Check Price and Availability of E587-0263, 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 E587-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0263
  • 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 E587-0263 available by request