F417-0544 Screening compound: N-[(2-chlorophenyl)methyl]-2-[4-oxo-1-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl]acetamide

F417-0544 Screening compound: N-[(2-chlorophenyl)methyl]-2-[4-oxo-1-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl]acetamide
F417-0544 Screening compound: N-[(2-chlorophenyl)methyl]-2-[4-oxo-1-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F417-0544
N-[(2-chlorophenyl)methyl]-2-[4-oxo-1-(propan-2-yl)-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

F417-0544

Molecular Formula

C21H20ClN5O2 (C21 H20 ClN5 O2)

Compound Name

N-[(2-chlorophenyl)methyl]-2-[4-oxo-1-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl]acetamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-[4-oxo-1-(propan-2-yl)-4H5H-[124]triazolo[43-a]quinoxalin-5-yl]acetamide

SMILES

CC(C)c1nnc2n1-c(cccc1)c1N(CC(NCc(cccc1)c1Cl)=O)C2=O

InChI

InChI=1S/C21H20ClN5O2/c1-13(2)19-24-25-20-21(29)26(16-9-5-6-10-17(16)27(19)20)12-18(28)23-11-14-7-3-4-8-15(14)22/h3-10,13H,11-12H2,1-2H3,(H,23,28)

InChI Key

MXGYUVLPCVJVBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27126199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.88

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.024

Distribution Coefficient, logD

3.024

Water Solubility, LogSw

-3.37

Polar Surface Area

63.843

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F417-0544 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 F417-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F417-0544?
Check Price and Availability of F417-0544, 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 F417-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F417-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F417-0544
  • 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 F417-0544 available by request