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PE859

CAT: 0931-T4077-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T4077-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1402727-29-0
Target
Microtubule Associated, Beta Amyloid, Gamma-secretase
Related Pathways
Proteases/Proteasome, Cytoskeletal Signaling, Stem Cells, Neuroscience
Purity
0.996
Bioactivity
PE859 is a potent inhibitor of the aggregation of both tau and Aβ.
Smiles
COc1cc(OCc2ccccn2)ccc1\C=C\c1cc(\C=C\c2ccc3cc[nH]c3c2)[nH]n1
Molecular Formula
C28H24N4O2
Molecular Weight
448.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-((E)-2-(3-((E)-2-Methoxy-4-(pyridin-2-ylmethoxy)styryl)-1h-pyrazol-5-yl)vinyl)-1h-indole
CAS Number1402727-29-0
PubChem CID66571561
IUPAC Name6-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
Molecular FormulaC28H24N4O2
Molecular Weight448.5
XLogP5.4
Topological Polar Surface Area75.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count34
Formal Charge0
Complexity685
SMILES
COC1=C(C=CC(=C1)OCC2=CC=CC=N2)/C=C/C3=CC(=NN3)/C=C/C4=CC5=C(C=C4)C=CN5
InChI
InChI=1S/C28H24N4O2/c1-33-28-18-26(34-19-25-4-2-3-14-29-25)12-9-22(28)8-11-24-17-23(31-32-24)10-6-20-5-7-21-13-15-30-27(21)16-20/h2-18,30H,19H2,1H3,(H,31,32)/b10-6+,11-8+
InChIKey
AMBZHNVCLPHAKA-NSJFVGFPSA-N
Chemical Structure
2D Structure
2D structure of 6-((E)-2-(3-((E)-2-Methoxy-4-(pyridin-2-ylmethoxy)styryl)-1h-pyrazol-5-yl)vinyl)-1h-indole
CAS: 1402727-29-0
CID: 66571561
Formula: C28H24N4O2
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass448.18992602
Monoisotopic Mass448.18992602
Topological Polar Surface Area75.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity685
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-12662-01PE859
A21592-1PE859 1mg
A21592-10PE859 10mg
A21592-100PE859 100mg
A21592-50PE859 50mg
A21592-25PE859 25mg
A21592-5PE859 5mg
A21592-10mM-DPE859 10mM * 1mL in DMSO

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