F424-0782 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide

F424-0782 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide
F424-0782 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F424-0782
N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}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

F424-0782

Molecular Formula

C18H13N5O4S2 (C18 H13 N5 O4 S2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{[4-oxo-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl]sulfanyl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{[4-oxo-2-(thiophen-2-yl)-4H5H-pyrazolo[15-d][124]triazin-7-yl]sulfanyl}acetamide

SMILES

O=C(CSC(n(c1c2)nc2-c2cccs2)=NNC1=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C18H13N5O4S2/c24-16(19-10-3-4-13-14(6-10)27-9-26-13)8-29-18-21-20-17(25)12-7-11(22-23(12)18)15-2-1-5-28-15/h1-7H,8-9H2,(H,19,24)(H,20,25)

InChI Key

PNSSHDKRSWYOKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27126933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-3.38

Polar Surface Area

92.598

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

F424-0782 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with F424-0782 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F424-0782?
Check Price and Availability of F424-0782, 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 F424-0782 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F424-0782
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F424-0782
  • 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 F424-0782 available by request