F542-0474 Screening compound: N-{2-[3-(2,3-dioxo-1-propyl-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide

F542-0474 Screening compound: N-{2-[3-(2,3-dioxo-1-propyl-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide
F542-0474 Screening compound: N-{2-[3-(2,3-dioxo-1-propyl-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F542-0474
N-{2-[3-(2,3-dioxo-1-propyl-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide

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

F542-0474

Molecular Formula

C22H23N5O5S (C22 H23 N5 O5 S)

Compound Name

N-{2-[3-(2,3-dioxo-1-propyl-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide

IUPAC name

N-{2-[3-(23-dioxo-1-propyl-1234-tetrahydroquinoxalin-6-yl)-124-oxadiazol-5-yl]ethyl}-4-methylbenzene-1-sulfonamide

SMILES

CCCN(c(ccc(-c1noc(CCNS(c2ccc(C)cc2)(=O)=O)n1)c1)c1NC1=O)C1=O

InChI

InChI=1S/C22H23N5O5S/c1-3-12-27-18-9-6-15(13-17(18)24-21(28)22(27)29)20-25-19(32-26-20)10-11-23-33(30,31)16-7-4-14(2)5-8-16/h4-9,13,23H,3,10-12H2,1-2H3,(H,24,28)

InChI Key

YDOXOJDWZQSRMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.904

Water Solubility, LogSw

-3.98

Polar Surface Area

113.491

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

F542-0474 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F542-0474 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F542-0474?
Check Price and Availability of F542-0474, 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 F542-0474 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F542-0474
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F542-0474
  • 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 F542-0474 available by request