S354-0019 Screening compound: 3-{5-[6-(4-CHLOROPHENYL)-6,7-DIHYDRO-4H-[1,2,3]TRIAZOLO[5,1-C][1,4]OXAZIN-3-YL]-1,2,4-OXADIAZOL-3-YL}PHENYL ETHYL ETHER

S354-0019 Screening compound: 3-{5-[6-(4-CHLOROPHENYL)-6,7-DIHYDRO-4H-[1,2,3]TRIAZOLO[5,1-C][1,4]OXAZIN-3-YL]-1,2,4-OXADIAZOL-3-YL}PHENYL ETHYL ETHER
S354-0019 Screening compound: 3-{5-[6-(4-CHLOROPHENYL)-6,7-DIHYDRO-4H-[1,2,3]TRIAZOLO[5,1-C][1,4]OXAZIN-3-YL]-1,2,4-OXADIAZOL-3-YL}PHENYL ETHYL ETHER alternative view

Chemical Structure Depiction of ChemDiv screening compound S354-0019
3-{5-[6-(4-CHLOROPHENYL)-6,7-DIHYDRO-4H-[1,2,3]TRIAZOLO[5,1-C][1,4]OXAZIN-3-YL]-1,2,4-OXADIAZOL-3-YL}PHENYL ETHYL ETHER

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

S354-0019

Molecular Formula

C21H18ClN5O3 (C21 H18 ClN5 O3)

Compound Name

3-{5-[6-(4-CHLOROPHENYL)-6,7-DIHYDRO-4H-[1,2,3]TRIAZOLO[5,1-C][1,4]OXAZIN-3-YL]-1,2,4-OXADIAZOL-3-YL}PHENYL ETHYL ETHER

IUPAC name

n/a

SMILES

CCOc1cccc(-c2noc(-c3c(COC(C4)c(cc5)ccc5Cl)n4nn3)n2)c1

InChI

InChI=1S/C21H18ClN5O3/c1-2-28-16-5-3-4-14(10-16)20-23-21(30-25-20)19-17-12-29-18(11-27(17)26-24-19)13-6-8-15(22)9-7-13/h3-10,18H,2,11-12H2,1H3/t18-/m0/s1

InChI Key

WDUONZBBSLSOLI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29006230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.305

Distribution Coefficient, logD

4.305

Water Solubility, LogSw

-4.85

Polar Surface Area

73.289

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

S354-0019 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 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
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S354-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S354-0019?
Check Price and Availability of S354-0019, 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 S354-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S354-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S354-0019
  • 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 S354-0019 available by request