5900-0063 Screening compound: 4-(3,4-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one

5900-0063 Screening compound: 4-(3,4-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one
5900-0063 Screening compound: 4-(3,4-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5900-0063
4-(3,4-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one

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

5900-0063

Molecular Formula

C16H16N2O3S (C16 H16 N2 O3 S)

Compound Name

4-(3,4-dimethylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

4-(34-dimethylbenzenesulfonyl)-1234-tetrahydroquinoxalin-2-one

SMILES

Cc(cc1)c(C)cc1S(N(C1)c(cccc2)c2NC1=O)(=O)=O

InChI

InChI=1S/C16H16N2O3S/c1-11-7-8-13(9-12(11)2)22(20,21)18-10-16(19)17-14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,17,19)

InChI Key

KOFCCGJPJLJADA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02765100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.970

Distribution Coefficient, logD

2.970

Water Solubility, LogSw

-3.41

Polar Surface Area

56.224

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

-4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

5900-0063 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5900-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5900-0063?
Check Price and Availability of 5900-0063, 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 5900-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5900-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5900-0063
  • 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 5900-0063 available by request