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BRD5814

CAT: 0931-T70040-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T70040-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1953181-29-7
Target
Others, Dopamine Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Others
Bioactivity
BRD5814 is a highly brain penetrant β-arrestin biased D2R antagonist.
Smiles
O(C1(C)CCN(CCOC2=C(C(F)(F)F)C=CC=C2)CC1)C3=CC=C(Cl)C=C3
Molecular Formula
C21H23ClF3NO2
Molecular Weight
413.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(4-Chlorophenoxy)-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine
CAS Number1953181-29-7
PubChem CID121418491
IUPAC Name4-(4-chlorophenoxy)-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine
Molecular FormulaC21H23ClF3NO2
Molecular Weight413.9
XLogP5.8
Topological Polar Surface Area21.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity475
SMILES
CC1(CCN(CC1)CCOC2=CC=CC=C2C(F)(F)F)OC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H23ClF3NO2/c1-20(28-17-8-6-16(22)7-9-17)10-12-26(13-11-20)14-15-27-19-5-3-2-4-18(19)21(23,24)25/h2-9H,10-15H2,1H3
InChIKey
MLQFCCRYUWOUAD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Chlorophenoxy)-4-methyl-1-[2-[2-(trifluoromethyl)phenoxy]ethyl]piperidine
CAS: 1953181-29-7
CID: 121418491
Formula: C21H23ClF3NO2
MW: 413.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.9
XLogP35.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass413.1369412
Monoisotopic Mass413.1369412
Topological Polar Surface Area21.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity475
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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