F417-0494 Screening compound: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{4-oxo-1-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl}acetamide

F417-0494 Screening compound: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{4-oxo-1-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl}acetamide
F417-0494 Screening compound: N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{4-oxo-1-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F417-0494
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{4-oxo-1-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl}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

F417-0494

Molecular Formula

C21H17ClF3N5O2 (C21 H17 ClF3 N5 O2)

Compound Name

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{4-oxo-1-propyl-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl}acetamide

IUPAC name

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{4-oxo-1-propyl-4H5H-[124]triazolo[43-a]quinoxalin-5-yl}acetamide

SMILES

CCCc1nnc2n1-c(cccc1)c1N(CC(Nc(cc1)c(C(F)(F)F)cc1Cl)=O)C2=O

InChI

InChI=1S/C21H17ClF3N5O2/c1-2-5-17-27-28-19-20(32)29(15-6-3-4-7-16(15)30(17)19)11-18(31)26-14-9-8-12(22)10-13(14)21(23,24)25/h3-4,6-10H,2,5,11H2,1H3,(H,26,31)

InChI Key

DMEBCBPXXDZSAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18203170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.949

Distribution Coefficient, logD

3.949

Water Solubility, LogSw

-4.38

Polar Surface Area

62.799

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F417-0494 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F417-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F417-0494?
Check Price and Availability of F417-0494, 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 F417-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F417-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F417-0494
  • 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 F417-0494 available by request