E587-0272 Screening compound: 2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(piperidin-1-yl)ethan-1-one

E587-0272 Screening compound: 2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(piperidin-1-yl)ethan-1-one
E587-0272 Screening compound: 2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0272
2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-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

E587-0272

Molecular Formula

C22H23ClN2OS (C22 H23 ClN2 OS)

Compound Name

2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-(3-{[(2-chlorophenyl)methyl]sulfanyl}-1H-indol-1-yl)-1-(piperidin-1-yl)ethan-1-one

SMILES

O=C(Cn1c(cccc2)c2c(SCc(cccc2)c2Cl)c1)N1CCCCC1

InChI

InChI=1S/C22H23ClN2OS/c23-19-10-4-2-8-17(19)16-27-21-14-25(20-11-5-3-9-18(20)21)15-22(26)24-12-6-1-7-13-24/h2-5,8-11,14H,1,6-7,12-13,15-16H2

InChI Key

IEIWOIOMRYCYDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.96

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

4.795

Distribution Coefficient, logD

4.795

Water Solubility, LogSw

-4.83

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

E587-0272 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with E587-0272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0272?
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What is the minimum amount of E587-0272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0272
  • 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 E587-0272 available by request