S358-0302 Screening compound: 6-(2-CHLOROPHENYL)-1-{3-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-5,6-DIHYDRO-8H-IMIDAZO[5,1-C][1,4]OXAZINE

S358-0302 Screening compound: 6-(2-CHLOROPHENYL)-1-{3-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-5,6-DIHYDRO-8H-IMIDAZO[5,1-C][1,4]OXAZINE
S358-0302 Screening compound: 6-(2-CHLOROPHENYL)-1-{3-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-5,6-DIHYDRO-8H-IMIDAZO[5,1-C][1,4]OXAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound S358-0302
6-(2-CHLOROPHENYL)-1-{3-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-5,6-DIHYDRO-8H-IMIDAZO[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

S358-0302

Molecular Formula

C21H14ClF3N4O2 (C21 H14 ClF3 N4 O2)

Compound Name

6-(2-CHLOROPHENYL)-1-{3-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,4-OXADIAZOL-5-YL}-5,6-DIHYDRO-8H-IMIDAZO[5,1-C][1,4]OXAZINE

IUPAC name

n/a

SMILES

FC(c(cc1)ccc1-c1noc(-c2c(COC(C3)c(cccc4)c4Cl)n3cn2)n1)(F)F

InChI

InChI=1S/C21H14ClF3N4O2/c22-15-4-2-1-3-14(15)17-9-29-11-26-18(16(29)10-30-17)20-27-19(28-31-20)12-5-7-13(8-6-12)21(23,24)25/h1-8,11,17H,9-10H2/t17-/m0/s1

InChI Key

VPQJMYTYPUUJHY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD29032680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.82

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.992

Distribution Coefficient, logD

4.992

Water Solubility, LogSw

-5.27

Polar Surface Area

51.328

Acid Dissociation Constant (pKa)

22.38

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

S358-0302 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S358-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S358-0302?
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What is the minimum amount of S358-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S358-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S358-0302
  • 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 S358-0302 available by request