F417-0294 Screening compound: N-[(4-chlorophenyl)methyl]-2-{1-ethyl-4-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl}acetamide

F417-0294 Screening compound: N-[(4-chlorophenyl)methyl]-2-{1-ethyl-4-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl}acetamide
F417-0294 Screening compound: N-[(4-chlorophenyl)methyl]-2-{1-ethyl-4-oxo-4H,5H-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F417-0294
N-[(4-chlorophenyl)methyl]-2-{1-ethyl-4-oxo-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

F417-0294

Molecular Formula

C20H18ClN5O2 (C20 H18 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc2n1-c(cccc1)c1N(CC(NCc(cc1)ccc1Cl)=O)C2=O

InChI

InChI=1S/C20H18ClN5O2/c1-2-17-23-24-19-20(28)25(15-5-3-4-6-16(15)26(17)19)12-18(27)22-11-13-7-9-14(21)10-8-13/h3-10H,2,11-12H2,1H3,(H,22,27)

InChI Key

FSSMIUGMNXYONT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27126127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.85

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

2.270

Distribution Coefficient, logD

2.270

Water Solubility, LogSw

-3.20

Polar Surface Area

64.819

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F417-0294 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 F417-0294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F417-0294?
Check Price and Availability of F417-0294, 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 F417-0294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F417-0294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F417-0294
  • 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 F417-0294 available by request