E018-0805 Screening compound: N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide

E018-0805 Screening compound: N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide
E018-0805 Screening compound: N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-0805
N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)sulfanyl]-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

E018-0805

Molecular Formula

C24H28ClN3OS (C24 H28 ClN3 OS)

Compound Name

N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-3-[(4-chlorophenyl)sulfanyl]-1H-indole-2-carboxamide

SMILES

O=C(c([nH]c1c2cccc1)c2Sc(cc1)ccc1Cl)NCCCN1CCCCCC1

InChI

InChI=1S/C24H28ClN3OS/c25-18-10-12-19(13-11-18)30-23-20-8-3-4-9-21(20)27-22(23)24(29)26-14-7-17-28-15-5-1-2-6-16-28/h3-4,8-13,27H,1-2,5-7,14-17H2,(H,26,29)

InChI Key

HLVVRFGPAFQVHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.236

Distribution Coefficient, logD

2.666

Water Solubility, LogSw

-5.73

Polar Surface Area

38.655

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

E018-0805 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E018-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-0805?
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What is the minimum amount of E018-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-0805
  • 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 E018-0805 available by request