K828-0091 Screening compound: 6-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

K828-0091 Screening compound: 6-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide
K828-0091 Screening compound: 6-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K828-0091
6-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)-4-oxo-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

K828-0091

Molecular Formula

C21H23N3O5S (C21 H23 N3 O5 S)

Compound Name

6-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

IUPAC name

6-[ethyl(phenyl)sulfamoyl]-N-(2-methoxyethyl)-4-oxo-14-dihydroquinoline-3-carboxamide

SMILES

CCN(c1ccccc1)S(c(cc1)cc2c1NC=C(C(NCCOC)=O)C2=O)(=O)=O

InChI

InChI=1S/C21H23N3O5S/c1-3-24(15-7-5-4-6-8-15)30(27,28)16-9-10-19-17(13-16)20(25)18(14-23-19)21(26)22-11-12-29-2/h4-10,13-14H,3,11-12H2,1-2H3,(H,22,26)(H,23,25)

InChI Key

XWYPGPYVDLKBRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05716006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.944

Distribution Coefficient, logD

0.882

Water Solubility, LogSw

-3.09

Polar Surface Area

88.777

Acid Dissociation Constant (pKa)

6.38

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

K828-0091 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K828-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K828-0091?
Check Price and Availability of K828-0091, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K828-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K828-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K828-0091
  • 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 K828-0091 available by request