E018-0635 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-(4-ethylpiperazine-1-carbonyl)-1H-indole

E018-0635 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-(4-ethylpiperazine-1-carbonyl)-1H-indole
E018-0635 Screening compound: 3-[(4-chlorophenyl)sulfanyl]-2-(4-ethylpiperazine-1-carbonyl)-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E018-0635
3-[(4-chlorophenyl)sulfanyl]-2-(4-ethylpiperazine-1-carbonyl)-1H-indole

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

E018-0635

Molecular Formula

C21H22ClN3OS (C21 H22 ClN3 OS)

Compound Name

3-[(4-chlorophenyl)sulfanyl]-2-(4-ethylpiperazine-1-carbonyl)-1H-indole

IUPAC name

3-[(4-chlorophenyl)sulfanyl]-2-(4-ethylpiperazine-1-carbonyl)-1H-indole

SMILES

CCN(CC1)CCN1C(c([nH]c1c2cccc1)c2Sc(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H22ClN3OS/c1-2-24-11-13-25(14-12-24)21(26)19-20(17-5-3-4-6-18(17)23-19)27-16-9-7-15(22)8-10-16/h3-10,23H,2,11-14H2,1H3

InChI Key

JELDVLGTDIEUIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.077

Distribution Coefficient, logD

3.900

Water Solubility, LogSw

-4.36

Polar Surface Area

30.271

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E018-0635 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

Anti-HIV1 Library (19540 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E018-0635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E018-0635?
Check Price and Availability of E018-0635, 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 E018-0635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E018-0635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E018-0635
  • 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 E018-0635 available by request