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O-2172

CAT: 0931-T203629-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T203629-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
521062-92-0
Target
Dopamine Receptor, Others
Related Pathways
GPCR/G Protein, Neuroscience, Others
Bioactivity
O-2172 is a carbocyclic analogue serving as an inhibitor of dopamine transporter (DAT), exhibiting IC50 values of 47 nM for DAT and 7000 nM for the serotonin transporter (SERT) .
Smiles
O=C(OC)C(C1=CC=C(Cl)C(Cl)=C1)C2CCCC2
Molecular Formula
C14H16Cl2O2
Molecular Weight
287.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

O-2172
CAS Number521062-92-0
PubChem CID11778793
IUPAC Namemethyl 2-cyclopentyl-2-(3,4-dichlorophenyl)acetate
Molecular FormulaC14H16Cl2O2
Molecular Weight287.2
XLogP5.2
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity290
SMILES
COC(=O)C(C1CCCC1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H16Cl2O2/c1-18-14(17)13(9-4-2-3-5-9)10-6-7-11(15)12(16)8-10/h6-9,13H,2-5H2,1H3
InChIKey
NEHPFNBRZYFWFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of O-2172
CAS: 521062-92-0
CID: 11778793
Formula: C14H16Cl2O2
MW: 287.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight287.2
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass286.0527351
Monoisotopic Mass286.0527351
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity290
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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