S354-0275 Screening compound: 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine

S354-0275 Screening compound: 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
S354-0275 Screening compound: 3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S354-0275
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine

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

S354-0275

Molecular Formula

C15H14FN5O2 (C15 H14 FN5 O2)

Compound Name

3-(3-ethyl-1,2,4-oxadiazol-5-yl)-6-(4-fluorophenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine

IUPAC name

3-ethyl-5-[6-(4-fluorophenyl)-4H6H7H-[123]triazolo[43-c][14]oxazin-3-yl]-124-oxadiazole

SMILES

CCc1noc(-c2c(COC(C3)c(cc4)ccc4F)n3nn2)n1

InChI

InChI=1S/C15H14FN5O2/c1-2-13-17-15(23-19-13)14-11-8-22-12(7-21(11)20-18-14)9-3-5-10(16)6-4-9/h3-6,12H,2,7-8H2,1H3/t12-/m0/s1

InChI Key

VHGNCKBEFAEFMW-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.839

Distribution Coefficient, logD

1.839

Water Solubility, LogSw

-1.87

Polar Surface Area

67.427

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

S354-0275 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)

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
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S354-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S354-0275?
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What is the minimum amount of S354-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S354-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S354-0275
  • 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 S354-0275 available by request