C448-0440 Screening compound: N-[3-(methylsulfanyl)phenyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C448-0440 Screening compound: N-[3-(methylsulfanyl)phenyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C448-0440 Screening compound: N-[3-(methylsulfanyl)phenyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C448-0440
N-[3-(methylsulfanyl)phenyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-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

C448-0440

Molecular Formula

C19H14N2O2S2 (C19 H14 N2 O2 S2)

Compound Name

N-[3-(methylsulfanyl)phenyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

IUPAC name

N-[3-(methylsulfanyl)phenyl]-4-oxo-4H5H-thieno[32-c]quinoline-2-carboxamide

SMILES

CSc1cccc(NC(c2cc(C(Nc3c-4cccc3)=O)c4s2)=O)c1

InChI

InChI=1S/C19H14N2O2S2/c1-24-12-6-4-5-11(9-12)20-19(23)16-10-14-17(25-16)13-7-2-3-8-15(13)21-18(14)22/h2-10H,1H3,(H,20,23)(H,21,22)

InChI Key

KRGSFKIAIFHQRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.46

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

4.415

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.39

Polar Surface Area

48.954

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

C448-0440 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C448-0440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C448-0440?
Check Price and Availability of C448-0440, 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 C448-0440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C448-0440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C448-0440
  • 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 C448-0440 available by request