F417-0578 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-1-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl]acetamide

F417-0578 Screening compound: N-(5-chloro-2-methoxyphenyl)-2-[4-oxo-1-(propan-2-yl)-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl]acetamide
F417-0578 Screening compound: N-(5-chloro-2-methoxyphenyl)-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 F417-0578
N-(5-chloro-2-methoxyphenyl)-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

F417-0578

Molecular Formula

C21H20ClN5O3 (C21 H20 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1nnc2n1-c(cccc1)c1N(CC(Nc(cc(cc1)Cl)c1OC)=O)C2=O

InChI

InChI=1S/C21H20ClN5O3/c1-12(2)19-24-25-20-21(29)26(15-6-4-5-7-16(15)27(19)20)11-18(28)23-14-10-13(22)8-9-17(14)30-3/h4-10,12H,11H2,1-3H3,(H,23,28)

InChI Key

SIZXXRUIJYQWEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18203152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

2.912

Water Solubility, LogSw

-3.41

Polar Surface Area

69.454

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F417-0578 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 F417-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F417-0578?
Check Price and Availability of F417-0578, 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 F417-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F417-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F417-0578
  • 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 F417-0578 available by request