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VU6067416

CAT: 0931-T209179-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T209179-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3027515-24-5
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Bioactivity
VU6067416 is a potent 5-HT2A agonist capable of crossing the blood-brain barrier, with an EC50 of 189 nM.
Smiles
BrC=1C=CC=2NN=C(C2C1)C3=CCCNC3
Molecular Formula
C12H12BrN3
Molecular Weight
278.15
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-bromo-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
CAS Number3027515-24-5
PubChem CID170453288
IUPAC Name5-bromo-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
Molecular FormulaC12H12BrN3
Molecular Weight278.15
XLogP2
Topological Polar Surface Area40.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity292
SMILES
C1CNCC(=C1)C2=NNC3=C2C=C(C=C3)Br
InChI
InChI=1S/C12H12BrN3/c13-9-3-4-11-10(6-9)12(16-15-11)8-2-1-5-14-7-8/h2-4,6,14H,1,5,7H2,(H,15,16)
InChIKey
OZAHEVLLVSEENQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-bromo-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indazole
CAS: 3027515-24-5
CID: 170453288
Formula: C12H12BrN3
MW: 278.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.15
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass277.02146
Monoisotopic Mass277.02146
Topological Polar Surface Area40.7 Ų
Heavy Atom Count16
Formal Charge0
Complexity292
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

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