C519-0171 Screening compound: 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-[(thiophen-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide

C519-0171 Screening compound: 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-[(thiophen-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide
C519-0171 Screening compound: 6-(diethylsulfamoyl)-1-methyl-4-oxo-N-[(thiophen-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C519-0171
6-(diethylsulfamoyl)-1-methyl-4-oxo-N-[(thiophen-2-yl)methyl]-1,4-dihydroquinoline-3-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

C519-0171

Molecular Formula

C20H23N3O4S2 (C20 H23 N3 O4 S2)

Compound Name

6-(diethylsulfamoyl)-1-methyl-4-oxo-N-[(thiophen-2-yl)methyl]-1,4-dihydroquinoline-3-carboxamide

IUPAC name

6-(diethylsulfamoyl)-1-methyl-4-oxo-N-[(thiophen-2-yl)methyl]-14-dihydroquinoline-3-carboxamide

SMILES

CCN(CC)S(c(cc1)cc2c1N(C)C=C(C(NCc1cccs1)=O)C2=O)(=O)=O

InChI

InChI=1S/C20H23N3O4S2/c1-4-23(5-2)29(26,27)15-8-9-18-16(11-15)19(24)17(13-22(18)3)20(25)21-12-14-7-6-10-28-14/h6-11,13H,4-5,12H2,1-3H3,(H,21,25)

InChI Key

WQCNDKSQERBOAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14764305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-3.01

Polar Surface Area

72.077

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C519-0171 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C519-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C519-0171?
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What is the minimum amount of C519-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C519-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C519-0171
  • 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 C519-0171 available by request