E587-0275 Screening compound: 1-(piperidin-1-yl)-2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethan-1-one

E587-0275 Screening compound: 1-(piperidin-1-yl)-2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethan-1-one
E587-0275 Screening compound: 1-(piperidin-1-yl)-2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E587-0275
1-(piperidin-1-yl)-2-[3-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-indol-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

E587-0275

Molecular Formula

C23H23F3N2OS (C23 H23 F3 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cn1c(cccc2)c2c(SCc2cc(C(F)(F)F)ccc2)c1)N1CCCCC1

InChI

InChI=1S/C23H23F3N2OS/c24-23(25,26)18-8-6-7-17(13-18)16-30-21-14-28(20-10-3-2-9-19(20)21)15-22(29)27-11-4-1-5-12-27/h2-3,6-10,13-14H,1,4-5,11-12,15-16H2

InChI Key

FEEDTROIHNDSIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05897589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.893

Distribution Coefficient, logD

4.893

Water Solubility, LogSw

-4.88

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

34.80

E587-0275 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E587-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E587-0275?
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What is the minimum amount of E587-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E587-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E587-0275
  • 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 E587-0275 available by request