5900-0058 Screening compound: 4-(4-tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one

5900-0058 Screening compound: 4-(4-tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one
5900-0058 Screening compound: 4-(4-tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5900-0058
4-(4-tert-butylbenzenesulfonyl)-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

5900-0058

Molecular Formula

C18H20N2O3S (C18 H20 N2 O3 S)

Compound Name

4-(4-tert-butylbenzenesulfonyl)-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

4-(4-tert-butylbenzenesulfonyl)-1234-tetrahydroquinoxalin-2-one

SMILES

CC(C)(C)c(cc1)ccc1S(N(C1)c(cccc2)c2NC1=O)(=O)=O

InChI

InChI=1S/C18H20N2O3S/c1-18(2,3)13-8-10-14(11-9-13)24(22,23)20-12-17(21)19-15-6-4-5-7-16(15)20/h4-11H,12H2,1-3H3,(H,19,21)

InChI Key

IZCQXYGEJMHFPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02765097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.739

Water Solubility, LogSw

-3.96

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

27.80

5900-0058 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5900-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5900-0058?
Check Price and Availability of 5900-0058, 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 5900-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5900-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5900-0058
  • 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 5900-0058 available by request