F542-0333 Screening compound: N-({3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzenesulfonamide

F542-0333 Screening compound: N-({3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzenesulfonamide
F542-0333 Screening compound: N-({3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F542-0333
N-({3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzenesulfonamide

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

F542-0333

Molecular Formula

C20H19N5O5S (C20 H19 N5 O5 S)

Compound Name

N-({3-[2,3-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzenesulfonamide

IUPAC name

N-({3-[23-dioxo-1-(propan-2-yl)-1234-tetrahydroquinoxalin-6-yl]-124-oxadiazol-5-yl}methyl)benzenesulfonamide

SMILES

CC(C)N(c(ccc(-c1noc(CNS(c2ccccc2)(=O)=O)n1)c1)c1NC1=O)C1=O

InChI

InChI=1S/C20H19N5O5S/c1-12(2)25-16-9-8-13(10-15(16)22-19(26)20(25)27)18-23-17(30-24-18)11-21-31(28,29)14-6-4-3-5-7-14/h3-10,12,21H,11H2,1-2H3,(H,22,26)

InChI Key

FGHRSVTXHOJFEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.893

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-3.71

Polar Surface Area

113.392

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F542-0333 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F542-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F542-0333?
Check Price and Availability of F542-0333, 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 F542-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F542-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F542-0333
  • 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 F542-0333 available by request