8014-6668 Screening compound: 2-[(3-formyl-8-methylquinolin-2-yl)sulfanyl]acetic acid

8014-6668 Screening compound: 2-[(3-formyl-8-methylquinolin-2-yl)sulfanyl]acetic acid
8014-6668 Screening compound: 2-[(3-formyl-8-methylquinolin-2-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-6668
2-[(3-formyl-8-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

8014-6668

Molecular Formula

C13H11NO3S (C13 H11 NO3 S)

Compound Name

2-[(3-formyl-8-methylquinolin-2-yl)sulfanyl]acetic acid

IUPAC name

2-[(3-formyl-8-methylquinolin-2-yl)sulfanyl]acetic acid

SMILES

Cc(cccc1cc2C=O)c1nc2SCC(O)=O

InChI

InChI=1S/C13H11NO3S/c1-8-3-2-4-9-5-10(6-15)13(14-12(8)9)18-7-11(16)17/h2-6H,7H2,1H3,(H,16,17)

InChI Key

UCMZLOGYWUHETG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.383

Distribution Coefficient, logD

-1.082

Water Solubility, LogSw

-2.79

Polar Surface Area

52.014

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8014-6668 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

STING Agonist Library (5895 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
Agro:
  • Agro
Targets:
  • Others
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8014-6668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-6668?
Check Price and Availability of 8014-6668, 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 8014-6668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-6668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-6668
  • 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 8014-6668 available by request