K780-0253 Screening compound: 2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxylic acid

K780-0253 Screening compound: 2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxylic acid
K780-0253 Screening compound: 2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0253
2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxylic 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

K780-0253

Molecular Formula

C17H14N2O2S (C17 H14 N2 O2 S)

Compound Name

2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxylic acid

IUPAC name

2-{[3-(methylsulfanyl)phenyl]amino}quinoline-4-carboxylic acid

SMILES

CSc1cc(Nc2nc3ccccc3c(C(O)=O)c2)ccc1

InChI

InChI=1S/C17H14N2O2S/c1-22-12-6-4-5-11(9-12)18-16-10-14(17(20)21)13-7-2-3-8-15(13)19-16/h2-10H,1H3,(H,18,19)(H,20,21)

InChI Key

NMSLMFCVNDBREI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.643

Distribution Coefficient, logD

0.581

Water Solubility, LogSw

-4.26

Polar Surface Area

46.457

Acid Dissociation Constant (pKa)

3.93

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

K780-0253 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

KRAS-Targeted Library (16000 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with K780-0253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0253?
Check Price and Availability of K780-0253, 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 K780-0253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0253
  • 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 K780-0253 available by request