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Org 13011

CAT: 0931-T28258L-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T28258L-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
142494-12-0
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9898
Bioactivity
Org 13011 has CNS activity and induces conditioned taste aversion by mediating 5-HT 1A receptors.
Smiles
O=C1N(CCC1)CCCCN2CCN(C3=NC=CC(=C3)C(F)(F)F)CC2
Molecular Formula
C18H25F3N4O
Molecular Weight
370.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Org-13011
CAS Number142494-12-0
PubChem CID9907401
IUPAC Name1-[4-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]butyl]pyrrolidin-2-one
Molecular FormulaC18H25F3N4O
Molecular Weight370.4
XLogP2.3
Topological Polar Surface Area39.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity466
SMILES
C1CC(=O)N(C1)CCCCN2CCN(CC2)C3=NC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H25F3N4O/c19-18(20,21)15-5-6-22-16(14-15)24-12-10-23(11-13-24)7-1-2-8-25-9-3-4-17(25)26/h5-6,14H,1-4,7-13H2
InChIKey
YKJJCYZZWWSBEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Org-13011
CAS: 142494-12-0
CID: 9907401
Formula: C18H25F3N4O
MW: 370.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.4
XLogP32.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass370.19804592
Monoisotopic Mass370.19804592
Topological Polar Surface Area39.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity466
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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