F835-0585 Screening compound: 7-({[3-(3,4-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

F835-0585 Screening compound: 7-({[3-(3,4-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
F835-0585 Screening compound: 7-({[3-(3,4-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 F835-0585
7-({[3-(3,4-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

F835-0585

Molecular Formula

C20H16N6O4S2 (C20 H16 N6 O4 S2)

Compound Name

7-({[3-(3,4-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-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-2-(thiophen-2-yl)-4H5H-pyrazolo[15-d][124]triazin-4-one

SMILES

COc(ccc(-c1noc(CSC(n(c2c3)nc3-c3cccs3)=NNC2=O)n1)c1)c1OC

InChI

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

InChI Key

HPWZKEXUBFBWOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996788

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

3.922

Distribution Coefficient, logD

3.920

Water Solubility, LogSw

-4.08

Polar Surface Area

98.937

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

F835-0585 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F835-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F835-0585?
Check Price and Availability of F835-0585, 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 F835-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F835-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F835-0585
  • 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 F835-0585 available by request