E018-0681 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-cyclopentyl-1H-indole-2-carboxamide

E018-0681 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-cyclopentyl-1H-indole-2-carboxamide
E018-0681 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-N-cyclopentyl-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-0681
3-[(4-chlorophenyl)sulfanyl]-N-cyclopentyl-1H-indole-2-carboxamide

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

E018-0681

Molecular Formula

C20H19ClN2OS (C20 H19 ClN2 OS)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-N-cyclopentyl-1H-indole-2-carboxamide

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-N-cyclopentyl-1H-indole-2-carboxamide

SMILES

O=C(c([nH]c1c2cccc1)c2Sc(cc1)ccc1Cl)NC1CCCC1

InChI

InChI=1S/C20H19ClN2OS/c21-13-9-11-15(12-10-13)25-19-16-7-3-4-8-17(16)23-18(19)20(24)22-14-5-1-2-6-14/h3-4,7-12,14,23H,1-2,5-6H2,(H,22,24)

InChI Key

MXHVDAXPEFUOTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.185

Distribution Coefficient, logD

5.185

Water Solubility, LogSw

-5.75

Polar Surface Area

34.591

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E018-0681 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with E018-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-0681?
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What is the minimum amount of E018-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-0681
  • 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 E018-0681 available by request