F542-0894 Screening compound: 1-(2-methylpropyl)-6-{5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydroquinoxaline-2,3-dione

F542-0894 Screening compound: 1-(2-methylpropyl)-6-{5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydroquinoxaline-2,3-dione
F542-0894 Screening compound: 1-(2-methylpropyl)-6-{5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydroquinoxaline-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound F542-0894
1-(2-methylpropyl)-6-{5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-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

F542-0894

Molecular Formula

C21H17F3N4O3 (C21 H17 F3 N4 O3)

Compound Name

1-(2-methylpropyl)-6-{5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydroquinoxaline-2,3-dione

IUPAC name

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

SMILES

CC(C)CN(c(ccc(-c1noc(-c2c(C(F)(F)F)cccc2)n1)c1)c1NC1=O)C1=O

InChI

InChI=1S/C21H17F3N4O3/c1-11(2)10-28-16-8-7-12(9-15(16)25-18(29)20(28)30)17-26-19(31-27-17)13-5-3-4-6-14(13)21(22,23)24/h3-9,11H,10H2,1-2H3,(H,25,29)

InChI Key

CIMBZUMPPYOSIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27175022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-4.46

Polar Surface Area

71.975

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F542-0894 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F542-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F542-0894?
Check Price and Availability of F542-0894, 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 F542-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F542-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F542-0894
  • 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 F542-0894 available by request