C498-0692 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide

C498-0692 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methyl-4-oxo-4H,5H-thieno[3,2-c]quinoline-2-carboxamide
C498-0692 Screening compound: N-[2-(4-benzylpiperazin-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 C498-0692
N-[2-(4-benzylpiperazin-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

C498-0692

Molecular Formula

C26H28N4O2S (C26 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(c(cccc1)c1-c1c2cc(C(NCCN3CCN(Cc4ccccc4)CC3)=O)s1)C2=O

InChI

InChI=1S/C26H28N4O2S/c1-28-22-10-6-5-9-20(22)24-21(26(28)32)17-23(33-24)25(31)27-11-12-29-13-15-30(16-14-29)18-19-7-3-2-4-8-19/h2-10,17H,11-16,18H2,1H3,(H,27,31)

InChI Key

HPEDXHZHQDRVSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-3.70

Polar Surface Area

47.903

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C498-0692 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with C498-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C498-0692?
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What is the minimum amount of C498-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C498-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C498-0692
  • 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 C498-0692 available by request