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Wf-516

CAT: 0931-T13339-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T13339-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
310392-94-0
Target
5-HT Receptor, Serotonin Transporter
Related Pathways
GPCR/G Protein, Neuroscience
Bioactivity
Wf-516 is a 5-HT reuptake inhibitor (Kis: 5 nM and 40 nM for 5-HT1A receptor and 5-HT2A receptor in humans, respectively), and with potent antidepressant activity.
Smiles
O(C[C@H](CN1CCC(CC1)C2=CC(Cl)=C(Cl)C=C2)O)C3=C4C(OC(=C4)C5=NN=C(C)O5)=CC=C3
Molecular Formula
C25H25Cl2N3O4
Molecular Weight
502.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MIN-117 free base
CAS Number310392-94-0
PubChem CID9806065
IUPAC Name(2S)-1-[4-(3,4-dichlorophenyl)piperidin-1-yl]-3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-benzofuran-4-yl]oxy]propan-2-ol
Molecular FormulaC25H25Cl2N3O4
Molecular Weight502.4
XLogP5.1
Topological Polar Surface Area84.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity656
SMILES
CC1=NN=C(O1)C2=CC3=C(O2)C=CC=C3OC[C@H](CN4CCC(CC4)C5=CC(=C(C=C5)Cl)Cl)O
InChI
InChI=1S/C25H25Cl2N3O4/c1-15-28-29-25(33-15)24-12-19-22(3-2-4-23(19)34-24)32-14-18(31)13-30-9-7-16(8-10-30)17-5-6-20(26)21(27)11-17/h2-6,11-12,16,18,31H,7-10,13-14H2,1H3/t18-/m0/s1
InChIKey
XIYDIPLATGRHEC-SFHVURJKSA-N
Chemical Structure
2D Structure
2D structure of MIN-117 free base
CAS: 310392-94-0
CID: 9806065
Formula: C25H25Cl2N3O4
MW: 502.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.4
XLogP35.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass501.1222117
Monoisotopic Mass501.1222117
Topological Polar Surface Area84.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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