S354-0462 Screening compound: 3-(4-tert-butylphenyl)-5-[6-(3-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazole

S354-0462 Screening compound: 3-(4-tert-butylphenyl)-5-[6-(3-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazole
S354-0462 Screening compound: 3-(4-tert-butylphenyl)-5-[6-(3-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S354-0462
3-(4-tert-butylphenyl)-5-[6-(3-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazole

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

S354-0462

Molecular Formula

C24H25N5O3 (C24 H25 N5 O3)

Compound Name

3-(4-tert-butylphenyl)-5-[6-(3-methoxyphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazin-3-yl]-1,2,4-oxadiazole

IUPAC name

3-(4-tert-butylphenyl)-5-[6-(3-methoxyphenyl)-4H6H7H-[123]triazolo[43-c][14]oxazin-3-yl]-124-oxadiazole

SMILES

CC(C)(C)c(cc1)ccc1-c1noc(-c2c(COC(C3)c4cc(OC)ccc4)n3nn2)n1

InChI

InChI=1S/C24H25N5O3/c1-24(2,3)17-10-8-15(9-11-17)22-25-23(32-27-22)21-19-14-31-20(13-29(19)28-26-21)16-6-5-7-18(12-16)30-4/h5-12,20H,13-14H2,1-4H3/t20-/m0/s1

InChI Key

MCINDNBUKOIWGM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD29000553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

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

5.159

Distribution Coefficient, logD

5.159

Water Solubility, LogSw

-5.17

Polar Surface Area

73.709

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

-2.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

S354-0462 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

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

Protein-Protein Interaction Library (218420 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:
  • Antiviral
  • Infections
  • 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

References: we are preparing a list of scientific research reports with S354-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S354-0462?
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What is the minimum amount of S354-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S354-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S354-0462
  • 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 S354-0462 available by request