C072-0043 Screening compound: 2-[(2-chlorophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]quinoline-4-carboxamide

C072-0043 Screening compound: 2-[(2-chlorophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]quinoline-4-carboxamide
C072-0043 Screening compound: 2-[(2-chlorophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C072-0043
2-[(2-chlorophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]quinoline-4-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

C072-0043

Molecular Formula

C22H22ClN3O2S (C22 H22 ClN3 O2 S)

Compound Name

2-[(2-chlorophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]quinoline-4-carboxamide

IUPAC name

2-[(2-chlorophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]quinoline-4-carboxamide

SMILES

O=C(c1cc(Sc(cccc2)c2Cl)nc2ccccc12)NCCN1CCOCC1

InChI

InChI=1S/C22H22ClN3O2S/c23-18-6-2-4-8-20(18)29-21-15-17(16-5-1-3-7-19(16)25-21)22(27)24-9-10-26-11-13-28-14-12-26/h1-8,15H,9-14H2,(H,24,27)

InChI Key

ICWUJZGHYABIQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-4.35

Polar Surface Area

43.805

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C072-0043 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C072-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C072-0043?
Check Price and Availability of C072-0043, 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 C072-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C072-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C072-0043
  • 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 C072-0043 available by request