C498-0701 Screening compound: 5-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C498-0701 Screening compound: 5-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C498-0701 Screening compound: 5-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0701
5-methyl-N-[2-(3-methylphenyl)ethyl]-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

C498-0701

Molecular Formula

C22H20N2O2S (C22 H20 N2 O2 S)

Compound Name

5-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

IUPAC name

5-methyl-N-[2-(3-methylphenyl)ethyl]-4-oxo-4H5H-thieno[32-c]quinoline-2-carboxamide

SMILES

Cc1cccc(CCNC(c2cc(C(N(C)c3c-4cccc3)=O)c4s2)=O)c1

InChI

InChI=1S/C22H20N2O2S/c1-14-6-5-7-15(12-14)10-11-23-21(25)19-13-17-20(27-19)16-8-3-4-9-18(16)24(2)22(17)26/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)

InChI Key

KBUJANWLMWQPPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.904

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-4.00

Polar Surface Area

40.380

Acid Dissociation Constant (pKa)

13.49

Base Dissociation Constant (pKb)

-2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C498-0701 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C498-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0701?
Check Price and Availability of C498-0701, 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 C498-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0701
  • 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 C498-0701 available by request