C593-0831 Screening compound: 5-ethyl-N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C593-0831 Screening compound: 5-ethyl-N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C593-0831 Screening compound: 5-ethyl-N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C593-0831
5-ethyl-N-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]-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

C593-0831

Molecular Formula

C22H17F3N2O2S (C22 H17 F3 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(cccc1)c1-c1c2cc(C(N(C)c3cc(C(F)(F)F)ccc3)=O)s1)C2=O

InChI

InChI=1S/C22H17F3N2O2S/c1-3-27-17-10-5-4-9-15(17)19-16(20(27)28)12-18(30-19)21(29)26(2)14-8-6-7-13(11-14)22(23,24)25/h4-12H,3H2,1-2H3

InChI Key

IUZHLFVETBSBHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14773763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.049

Distribution Coefficient, logD

5.049

Water Solubility, LogSw

-4.70

Polar Surface Area

31.453

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-4.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C593-0831 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C593-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C593-0831?
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What is the minimum amount of C593-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C593-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C593-0831
  • 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 C593-0831 available by request