F835-0592 Screening compound: 7-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

F835-0592 Screening compound: 7-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
F835-0592 Screening compound: 7-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}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 F835-0592
7-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}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

F835-0592

Molecular Formula

C20H16N6O4S2 (C20 H16 N6 O4 S2)

Compound Name

7-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-2-(thiophen-2-yl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

IUPAC name

7-({[3-(24-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-2-(thiophen-2-yl)-4H5H-pyrazolo[15-d][124]triazin-4-one

SMILES

COc(cc1)cc(OC)c1-c1noc(CSC(n(c2c3)nc3-c3cccs3)=NNC2=O)n1

InChI

InChI=1S/C20H16N6O4S2/c1-28-11-5-6-12(15(8-11)29-2)18-21-17(30-25-18)10-32-20-23-22-19(27)14-9-13(24-26(14)20)16-4-3-7-31-16/h3-9H,10H2,1-2H3,(H,22,27)

InChI Key

WMYCNVKHVCSQII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.033

Distribution Coefficient, logD

4.031

Water Solubility, LogSw

-4.25

Polar Surface Area

98.850

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F835-0592 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with F835-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F835-0592?
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What is the minimum amount of F835-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F835-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F835-0592
  • 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 F835-0592 available by request