8017-8514 Screening compound: N-(2,6-dimethyl-3-{[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]sulfonyl}phenyl)methanesulfonamide

8017-8514 Screening compound: N-(2,6-dimethyl-3-{[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]sulfonyl}phenyl)methanesulfonamide
8017-8514 Screening compound: N-(2,6-dimethyl-3-{[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]sulfonyl}phenyl)methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8514
N-(2,6-dimethyl-3-{[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]sulfonyl}phenyl)methanesulfonamide

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

8017-8514

Molecular Formula

C17H19N3O5S2 (C17 H19 N3 O5 S2)

Compound Name

N-(2,6-dimethyl-3-{[3-oxo-3,4-dihydro-1(2H)-quinoxalinyl]sulfonyl}phenyl)methanesulfonamide

IUPAC name

N-{26-dimethyl-3-[(3-oxo-1234-tetrahydroquinoxalin-1-yl)sulfonyl]phenyl}methanesulfonamide

SMILES

Cc(ccc(S(N(C1)c(cccc2)c2NC1=O)(=O)=O)c1C)c1NS(C)(=O)=O

InChI

InChI=1S/C17H19N3O5S2/c1-11-8-9-15(12(2)17(11)19-26(3,22)23)27(24,25)20-10-16(21)18-13-6-4-5-7-14(13)20/h4-9,19H,10H2,1-3H3,(H,18,21)

InChI Key

TUACYETWEBHVPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.378

Distribution Coefficient, logD

0.963

Water Solubility, LogSw

-2.44

Polar Surface Area

96.696

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8017-8514 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8017-8514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8514?
Check Price and Availability of 8017-8514, 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 8017-8514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8514
  • 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 8017-8514 available by request