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R78206

CAT: 0931-T26026-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T26026-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
124436-97-1
Target
Virus Protease, Others
Related Pathways
Others, Microbiology/Virology
Bioactivity
R 78206 is a pyridazinamine derivative that suppresses the formation of poliovirus eclipse particles.
Smiles
C(CCOC1=CC=C(C(OCC)=O)C=C1)C2CCN(CC2)C3=CC=C(C)N=N3
Molecular Formula
C22H29N3O3
Molecular Weight
383.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ethyl 4-(3-(1-(6-methyl-3-pyridazinyl)-4-piperidinyl)propoxy)benzoate

stabilizer of poliovirus virions & procapsids; structure given in first source

CAS Number124436-97-1
PubChem CID130188
IUPAC Nameethyl 4-[3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propoxy]benzoate
Molecular FormulaC22H29N3O3
Molecular Weight383.5
XLogP4
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count28
Formal Charge0
Complexity460
SMILES
CCOC(=O)C1=CC=C(C=C1)OCCCC2CCN(CC2)C3=NN=C(C=C3)C
InChI
InChI=1S/C22H29N3O3/c1-3-27-22(26)19-7-9-20(10-8-19)28-16-4-5-18-12-14-25(15-13-18)21-11-6-17(2)23-24-21/h6-11,18H,3-5,12-16H2,1-2H3
InChIKey
UEIUDEUUVLYRFV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 4-(3-(1-(6-methyl-3-pyridazinyl)-4-piperidinyl)propoxy)benzoate
CAS: 124436-97-1
CID: 130188
Formula: C22H29N3O3
MW: 383.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass383.22089180
Monoisotopic Mass383.22089180
Topological Polar Surface Area64.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity460
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5775756R78206

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