F542-0045 Screening compound: 4-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

F542-0045 Screening compound: 4-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile
F542-0045 Screening compound: 4-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound F542-0045
4-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

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

F542-0045

Molecular Formula

C18H11N5O3 (C18 H11 N5 O3)

Compound Name

4-[3-(1-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxalin-6-yl)-1,2,4-oxadiazol-5-yl]benzonitrile

IUPAC name

4-[3-(1-methyl-23-dioxo-1234-tetrahydroquinoxalin-6-yl)-124-oxadiazol-5-yl]benzonitrile

SMILES

CN(c(ccc(-c1noc(-c(cc2)ccc2C#N)n1)c1)c1NC1=O)C1=O

InChI

InChI=1S/C18H11N5O3/c1-23-14-7-6-12(8-13(14)20-16(24)18(23)25)15-21-17(26-22-15)11-4-2-10(9-19)3-5-11/h2-8H,1H3,(H,20,24)

InChI Key

VBYXRFIZPJBAIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.572

Distribution Coefficient, logD

2.552

Water Solubility, LogSw

-3.20

Polar Surface Area

88.797

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

F542-0045 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F542-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F542-0045?
Check Price and Availability of F542-0045, 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 F542-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F542-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F542-0045
  • 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 F542-0045 available by request