S354-0232 Screening compound: 3-{5-[6-(4-fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine

S354-0232 Screening compound: 3-{5-[6-(4-fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine
S354-0232 Screening compound: 3-{5-[6-(4-fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S354-0232
3-{5-[6-(4-fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine

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

S354-0232

Molecular Formula

C18H13FN6O2 (C18 H13 FN6 O2)

Compound Name

3-{5-[6-(4-fluorophenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazol-3-yl}pyridine

IUPAC name

3-{5-[6-(4-fluorophenyl)-4H6H7H-[123]triazolo[43-c][14]oxazin-3-yl]-124-oxadiazol-3-yl}pyridine

SMILES

Fc1ccc(C2OCc3c(-c4nc(-c5cnccc5)no4)nnn3C2)cc1

InChI

InChI=1S/C18H13FN6O2/c19-13-5-3-11(4-6-13)15-9-25-14(10-26-15)16(22-24-25)18-21-17(23-27-18)12-2-1-7-20-8-12/h1-8,15H,9-10H2/t15-/m0/s1

InChI Key

LCSBEWGFWHZXAA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29000454

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.811

Distribution Coefficient, logD

1.756

Water Solubility, LogSw

-1.09

Polar Surface Area

75.683

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

S354-0232 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Nervous system
  • Eye
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
  • GPCR
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S354-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S354-0232?
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What is the minimum amount of S354-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S354-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S354-0232
  • 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 S354-0232 available by request