C498-0029 Screening compound: N-(4-bromo-2-methylphenyl)-7-chloro-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C498-0029 Screening compound: N-(4-bromo-2-methylphenyl)-7-chloro-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C498-0029 Screening compound: N-(4-bromo-2-methylphenyl)-7-chloro-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C498-0029
N-(4-bromo-2-methylphenyl)-7-chloro-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

C498-0029

Molecular Formula

C20H14BrClN2O2S (C20 H14 BrClN2 O2 S)

Compound Name

N-(4-bromo-2-methylphenyl)-7-chloro-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

IUPAC name

N-(4-bromo-2-methylphenyl)-7-chloro-5-methyl-4-oxo-4H5H-thieno[32-c]quinoline-2-carboxamide

SMILES

Cc(cc(cc1)Br)c1NC(c1cc(C(N(C)c2c-3ccc(Cl)c2)=O)c3s1)=O

InChI

InChI=1S/C20H14BrClN2O2S/c1-10-7-11(21)3-6-15(10)23-19(25)17-9-14-18(27-17)13-5-4-12(22)8-16(13)24(2)20(14)26/h3-9H,1-2H3,(H,23,25)

InChI Key

AGKIFRBKBYQTRM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.592

Distribution Coefficient, logD

5.590

Water Solubility, LogSw

-5.87

Polar Surface Area

38.519

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C498-0029 in Drug Discovery

Included in Screening Libraries

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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C498-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0029?
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What is the minimum amount of C498-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0029
  • 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 C498-0029 available by request