C498-0004 Screening compound: 7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C498-0004 Screening compound: 7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C498-0004 Screening compound: 7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0004
7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-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

C498-0004

Molecular Formula

C21H21ClN2O2S (C21 H21 ClN2 O2 S)

Compound Name

7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

IUPAC name

7-chloro-N-[2-(cyclohex-1-en-1-yl)ethyl]-5-methyl-4-oxo-4H5H-thieno[32-c]quinoline-2-carboxamide

SMILES

CN(c(cc(cc1)Cl)c1-c1c2cc(C(NCCC3=CCCCC3)=O)s1)C2=O

InChI

InChI=1S/C21H21ClN2O2S/c1-24-17-11-14(22)7-8-15(17)19-16(21(24)26)12-18(27-19)20(25)23-10-9-13-5-3-2-4-6-13/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,23,25)

InChI Key

IGQXGRVMWXWUSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.93

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

4.468

Distribution Coefficient, logD

4.468

Water Solubility, LogSw

-4.63

Polar Surface Area

40.572

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C498-0004 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C498-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0004?
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What is the minimum amount of C498-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0004
  • 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 C498-0004 available by request