5900-0060 Screening compound: 4-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one

5900-0060 Screening compound: 4-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one
5900-0060 Screening compound: 4-(4-bromobenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5900-0060
4-(4-bromobenzenesulfonyl)-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

5900-0060

Molecular Formula

C14H11BrN2O3S (C14 H11 BrN2 O3 S)

Compound Name

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

IUPAC name

4-(4-bromobenzenesulfonyl)-1234-tetrahydroquinoxalin-2-one

SMILES

O=C(C1)Nc(cccc2)c2N1S(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C14H11BrN2O3S/c15-10-5-7-11(8-6-10)21(19,20)17-9-14(18)16-12-3-1-2-4-13(12)17/h1-8H,9H2,(H,16,18)

InChI Key

SHBPBDJINRKBIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02765095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.22

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

2.779

Distribution Coefficient, logD

2.779

Water Solubility, LogSw

-3.35

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

7.10

5900-0060 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5900-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5900-0060?
Check Price and Availability of 5900-0060, 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 5900-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5900-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5900-0060
  • 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 5900-0060 available by request