F542-0746 Screening compound: 4-chloro-N-({3-[1-(2-methylpropyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzene-1-sulfonamide

F542-0746 Screening compound: 4-chloro-N-({3-[1-(2-methylpropyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzene-1-sulfonamide
F542-0746 Screening compound: 4-chloro-N-({3-[1-(2-methylpropyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F542-0746
4-chloro-N-({3-[1-(2-methylpropyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzene-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

F542-0746

Molecular Formula

C21H20ClN5O5S (C21 H20 ClN5 O5 S)

Compound Name

4-chloro-N-({3-[1-(2-methylpropyl)-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl]-1,2,4-oxadiazol-5-yl}methyl)benzene-1-sulfonamide

IUPAC name

4-chloro-N-({3-[1-(2-methylpropyl)-23-dioxo-1234-tetrahydroquinoxalin-6-yl]-124-oxadiazol-5-yl}methyl)benzene-1-sulfonamide

SMILES

CC(C)CN(c(ccc(-c1noc(CNS(c(cc2)ccc2Cl)(=O)=O)n1)c1)c1NC1=O)C1=O

InChI

InChI=1S/C21H20ClN5O5S/c1-12(2)11-27-17-8-3-13(9-16(17)24-20(28)21(27)29)19-25-18(32-26-19)10-23-33(30,31)15-6-4-14(22)5-7-15/h3-9,12,23H,10-11H2,1-2H3,(H,24,28)

InChI Key

SKIDRXCZQWDFAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.94

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.266

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.54

Polar Surface Area

113.671

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F542-0746 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F542-0746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F542-0746?
Check Price and Availability of F542-0746, 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 F542-0746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F542-0746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F542-0746
  • 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 F542-0746 available by request