6232-2310 Screening compound: N-[(phenylcarbamothioyl)amino]-2-(quinolin-8-yloxy)acetamide

6232-2310 Screening compound: N-[(phenylcarbamothioyl)amino]-2-(quinolin-8-yloxy)acetamide
6232-2310 Screening compound: N-[(phenylcarbamothioyl)amino]-2-(quinolin-8-yloxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6232-2310
N-[(phenylcarbamothioyl)amino]-2-(quinolin-8-yloxy)acetamide

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

6232-2310

Molecular Formula

C18H16N4O2S (C18 H16 N4 O2 S)

Compound Name

N-[(phenylcarbamothioyl)amino]-2-(quinolin-8-yloxy)acetamide

IUPAC name

N-[(phenylcarbamothioyl)amino]-2-(quinolin-8-yloxy)acetamide

SMILES

O=C(COc1cccc2cccnc12)NNC(Nc1ccccc1)=S

InChI

InChI=1S/C18H16N4O2S/c23-16(21-22-18(25)20-14-8-2-1-3-9-14)12-24-15-10-4-6-13-7-5-11-19-17(13)15/h1-11H,12H2,(H,21,23)(H2,20,22,25)

InChI Key

LKNRADYNDJFLSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02018981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.315

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-2.86

Polar Surface Area

64.072

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

6232-2310 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 6232-2310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6232-2310?
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What is the minimum amount of 6232-2310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6232-2310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6232-2310
  • 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 6232-2310 available by request