8018-3743 Screening compound: N-[3-chloro-4-(ethylsulfanyl)phenyl]quinoline-2-carboxamide

8018-3743 Screening compound: N-[3-chloro-4-(ethylsulfanyl)phenyl]quinoline-2-carboxamide
8018-3743 Screening compound: N-[3-chloro-4-(ethylsulfanyl)phenyl]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3743
N-[3-chloro-4-(ethylsulfanyl)phenyl]quinoline-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

8018-3743

Molecular Formula

C18H15ClN2OS (C18 H15 ClN2 OS)

Compound Name

N-[3-chloro-4-(ethylsulfanyl)phenyl]quinoline-2-carboxamide

IUPAC name

N-[3-chloro-4-(ethylsulfanyl)phenyl]quinoline-2-carboxamide

SMILES

CCSc(ccc(NC(c1nc2ccccc2cc1)=O)c1)c1Cl

InChI

InChI=1S/C18H15ClN2OS/c1-2-23-17-10-8-13(11-14(17)19)20-18(22)16-9-7-12-5-3-4-6-15(12)21-16/h3-11H,2H2,1H3,(H,20,22)

InChI Key

LWPALYNLEOQOCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.097

Distribution Coefficient, logD

5.086

Water Solubility, LogSw

-5.57

Polar Surface Area

31.660

Acid Dissociation Constant (pKa)

8.98

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8018-3743 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-3743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3743?
Check Price and Availability of 8018-3743, 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 8018-3743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3743
  • 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 8018-3743 available by request