F835-0586 Screening compound: 2-(thiophen-2-yl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

F835-0586 Screening compound: 2-(thiophen-2-yl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
F835-0586 Screening compound: 2-(thiophen-2-yl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F835-0586
2-(thiophen-2-yl)-7-[({3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)sulfanyl]-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

F835-0586

Molecular Formula

C19H11F3N6O2S2 (C19 H11 F3 N6 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cc(-c2cccs2)nn11)NN=C1SCc1nc(-c2cc(C(F)(F)F)ccc2)no1

InChI

InChI=1S/C19H11F3N6O2S2/c20-19(21,22)11-4-1-3-10(7-11)16-23-15(30-27-16)9-32-18-25-24-17(29)13-8-12(26-28(13)18)14-5-2-6-31-14/h1-8H,9H2,(H,24,29)

InChI Key

FAVWOAMWMYSBSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11996789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.101

Distribution Coefficient, logD

5.100

Water Solubility, LogSw

-5.42

Polar Surface Area

83.676

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

F835-0586 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F835-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F835-0586?
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What is the minimum amount of F835-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F835-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F835-0586
  • 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 F835-0586 available by request