S354-0401 Screening compound: 6-(4-ethoxyphenyl)-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine

S354-0401 Screening compound: 6-(4-ethoxyphenyl)-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine
S354-0401 Screening compound: 6-(4-ethoxyphenyl)-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound S354-0401
6-(4-ethoxyphenyl)-3-[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]-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

S354-0401

Molecular Formula

C20H18N6O3 (C20 H18 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc1ccc(C2OCc3c(-c4nc(-c5ccncc5)no4)nnn3C2)cc1

InChI

InChI=1S/C20H18N6O3/c1-2-27-15-5-3-13(4-6-15)17-11-26-16(12-28-17)18(23-25-26)20-22-19(24-29-20)14-7-9-21-10-8-14/h3-10,17H,2,11-12H2,1H3/t17-/m0/s1

InChI Key

JHMFMNHGQVBCJB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29000529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.382

Distribution Coefficient, logD

2.382

Water Solubility, LogSw

-2.26

Polar Surface Area

82.717

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

S354-0401 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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 S354-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S354-0401?
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What is the minimum amount of S354-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S354-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S354-0401
  • 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 S354-0401 available by request