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BTA-188

CAT: 0013-GTR19211848-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211848-01Size:1 mg
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Description
BTA-188 is a highly potent, orally bioavailable synthetic benzoxazole/benzothiazole derivative. It exhibits significant anti-rhinovirus activity, making it a valuable research tool for studying viral replication and for the development of broad-spectrum antiviral therapies in both in vitro and in vivo models.
CAS Number
314062-80-1
Product Name Alternative
Rhinovirus
Field of Research
Immunology & Inflammation, Infectious Disease & Virology
Purity
98.10% (May vary between batches)
Solubility
DMSO:25 mg/mL (67.85 mM)
Smiles
C (COC1=CC=C (C=NOCC) C=C1) C2CCN (CC2) C3=CC=C (C) N=N3
Molecular Formula
C21H28N4O2
Molecular Weight
368.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bta-188
CAS Number314062-80-1
PubChem CID9579252
IUPAC Name(E)-N-ethoxy-1-[4-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]phenyl]methanimine
Molecular FormulaC21H28N4O2
Molecular Weight368.5
XLogP3.9
Topological Polar Surface Area59.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity432
SMILES
CCO/N=C/C1=CC=C(C=C1)OCCC2CCN(CC2)C3=NN=C(C=C3)C
InChI
InChI=1S/C21H28N4O2/c1-3-27-22-16-19-5-7-20(8-6-19)26-15-12-18-10-13-25(14-11-18)21-9-4-17(2)23-24-21/h4-9,16,18H,3,10-15H2,1-2H3/b22-16+
InChIKey
LNKHWGSSSPTTHB-CJLVFECKSA-N
Chemical Structure
2D Structure
2D structure of Bta-188
CAS: 314062-80-1
CID: 9579252
Formula: C21H28N4O2
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass368.22122615
Monoisotopic Mass368.22122615
Topological Polar Surface Area59.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity432
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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