5585-0049 Screening compound: 2-[(4-methylquinolin-2-yl)sulfanyl]acetic acid

5585-0049 Screening compound: 2-[(4-methylquinolin-2-yl)sulfanyl]acetic acid
5585-0049 Screening compound: 2-[(4-methylquinolin-2-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5585-0049
2-[(4-methylquinolin-2-yl)sulfanyl]acetic acid

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

5585-0049

Molecular Formula

C12H11NO2S (C12 H11 NO2 S)

Compound Name

2-[(4-methylquinolin-2-yl)sulfanyl]acetic acid

IUPAC name

2-[(4-methylquinolin-2-yl)sulfanyl]acetic acid

SMILES

Cc1cc(SCC(O)=O)nc2ccccc12

InChI

InChI=1S/C12H11NO2S/c1-8-6-11(16-7-12(14)15)13-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3,(H,14,15)

InChI Key

LYRXFOXCAABCMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00749407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.525

Distribution Coefficient, logD

-0.940

Water Solubility, LogSw

-2.48

Polar Surface Area

36.314

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5585-0049 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cardiovascular
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5585-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5585-0049?
Check Price and Availability of 5585-0049, 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 5585-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5585-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5585-0049
  • 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 5585-0049 available by request