F424-0812 Screening compound: 7-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

F424-0812 Screening compound: 7-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
F424-0812 Screening compound: 7-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F424-0812
7-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

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

F424-0812

Molecular Formula

C20H17N5O2S2 (C20 H17 N5 O2 S2)

Compound Name

7-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

IUPAC name

7-{[2-oxo-2-(1234-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-2-(thiophen-2-yl)-4H5H-pyrazolo[15-d][124]triazin-4-one

SMILES

O=C(CSC(n(c1c2)nc2-c2cccs2)=NNC1=O)N(CCC1)c2c1cccc2

InChI

InChI=1S/C20H17N5O2S2/c26-18(24-9-3-6-13-5-1-2-7-15(13)24)12-29-20-22-21-19(27)16-11-14(23-25(16)20)17-8-4-10-28-17/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,21,27)

InChI Key

OLLPRQQGENMAMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.52

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

3.585

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.80

Polar Surface Area

67.390

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

F424-0812 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F424-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F424-0812?
Check Price and Availability of F424-0812, 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 F424-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F424-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F424-0812
  • 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 F424-0812 available by request