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Mefway F-18

CAT: 0931-T33277-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T33277-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
943962-60-5
Target
Others
Related Pathways
Others
Bioactivity
Mefway F-18 is a PET radioligand specific to serotonin-1A receptors.
Smiles
O(C)C1=C(C=CC=C1)N2CCN(CCN(C(=O)C3CCC(C[18F])CC3)C4=CC=CC=N4)CC2
Molecular Formula
C26H35FN4O2
Molecular Weight
453.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mefway F-18
CAS Number943962-60-5
PubChem CID11963740
IUPAC Name4-((18F)fluoromethyl)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-pyridin-2-ylcyclohexane-1-carboxamide
Molecular FormulaC26H35FN4O2
Molecular Weight453.6
XLogP3.9
Topological Polar Surface Area48.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity593
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=N3)C(=O)C4CCC(CC4)C[18F]
InChI
InChI=1S/C26H35FN4O2/c1-33-24-7-3-2-6-23(24)30-17-14-29(15-18-30)16-19-31(25-8-4-5-13-28-25)26(32)22-11-9-21(20-27)10-12-22/h2-8,13,21-22H,9-12,14-20H2,1H3/i27-1
InChIKey
BQGLPDFQLBNUGU-FMLNDMEQSA-N
Chemical Structure
2D Structure
2D structure of Mefway F-18
CAS: 943962-60-5
CID: 11963740
Formula: C26H35FN4O2
MW: 453.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight453.6
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass453.276939
Monoisotopic Mass453.276939
Topological Polar Surface Area48.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity593
Isotope Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes