F542-0845 Screening compound: 6-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione

F542-0845 Screening compound: 6-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione
F542-0845 Screening compound: 6-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F542-0845
6-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione

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

F542-0845

Molecular Formula

C24H23N5O3 (C24 H23 N5 O3)

Compound Name

6-{5-[2-(1H-indol-3-yl)ethyl]-1,2,4-oxadiazol-3-yl}-1-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2,3-dione

IUPAC name

6-{5-[2-(1H-indol-3-yl)ethyl]-124-oxadiazol-3-yl}-1-(2-methylpropyl)-1234-tetrahydroquinoxaline-23-dione

SMILES

CC(C)CN(c(ccc(-c1noc(CCc2c[nH]c3c2cccc3)n1)c1)c1NC1=O)C1=O

InChI

InChI=1S/C24H23N5O3/c1-14(2)13-29-20-9-7-15(11-19(20)26-23(30)24(29)31)22-27-21(32-28-22)10-8-16-12-25-18-6-4-3-5-17(16)18/h3-7,9,11-12,14,25H,8,10,13H2,1-2H3,(H,26,30)

InChI Key

STNZAGMFYGVGAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.076

Distribution Coefficient, logD

5.057

Water Solubility, LogSw

-4.94

Polar Surface Area

81.512

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

F542-0845 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F542-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F542-0845?
Check Price and Availability of F542-0845, 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 F542-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F542-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F542-0845
  • 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 F542-0845 available by request