F542-0565 Screening compound: N-{4-[3-(2,3-dioxo-1-propyl-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

F542-0565 Screening compound: N-{4-[3-(2,3-dioxo-1-propyl-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide
F542-0565 Screening compound: N-{4-[3-(2,3-dioxo-1-propyl-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F542-0565
N-{4-[3-(2,3-dioxo-1-propyl-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

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

F542-0565

Molecular Formula

C21H19N5O4 (C21 H19 N5 O4)

Compound Name

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

IUPAC name

N-{4-[3-(23-dioxo-1-propyl-1234-tetrahydroquinoxalin-6-yl)-124-oxadiazol-5-yl]phenyl}acetamide

SMILES

CCCN(c(ccc(-c1noc(-c(cc2)ccc2NC(C)=O)n1)c1)c1NC1=O)C1=O

InChI

InChI=1S/C21H19N5O4/c1-3-10-26-17-9-6-14(11-16(17)23-19(28)21(26)29)18-24-20(30-25-18)13-4-7-15(8-5-13)22-12(2)27/h4-9,11H,3,10H2,1-2H3,(H,22,27)(H,23,28)

InChI Key

LEFBNCPTCXFQSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

3.223

Water Solubility, LogSw

-3.43

Polar Surface Area

95.216

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F542-0565 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with F542-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F542-0565?
Check Price and Availability of F542-0565, 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 F542-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F542-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F542-0565
  • 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 F542-0565 available by request