8016-3532 Screening compound: N~6~-(3-fluoro-2-methylphenyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide

8016-3532 Screening compound: N~6~-(3-fluoro-2-methylphenyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide
8016-3532 Screening compound: N~6~-(3-fluoro-2-methylphenyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3532
N~6~-(3-fluoro-2-methylphenyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide

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

8016-3532

Molecular Formula

C17H16FN3O4S (C17 H16 FN3 O4 S)

Compound Name

N~6~-(3-fluoro-2-methylphenyl)-1,4-dimethyl-2,3-dioxo-1,2,3,4-tetrahydro-6-quinoxalinesulfonamide

IUPAC name

N-(3-fluoro-2-methylphenyl)-14-dimethyl-23-dioxo-1234-tetrahydroquinoxaline-6-sulfonamide

SMILES

Cc(c(F)ccc1)c1NS(c(cc1)cc(N(C)C2=O)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C17H16FN3O4S/c1-10-12(18)5-4-6-13(10)19-26(24,25)11-7-8-14-15(9-11)21(3)17(23)16(22)20(14)2/h4-9,19H,1-3H3

InChI Key

BOXKPSUSKZLYDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.580

Distribution Coefficient, logD

1.273

Water Solubility, LogSw

-2.66

Polar Surface Area

70.550

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

8016-3532 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-3532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3532?
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What is the minimum amount of 8016-3532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3532
  • 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 8016-3532 available by request