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PD 128907

CAT: 0931-T7553L-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T7553L-02Size:50 mg
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CAS Number
123594-64-9
Target
Dopamine Receptor, Others
Related Pathways
GPCR/G Protein, Neuroscience, Others
Bioactivity
PD 128907 is a potent and selective agonist of dopamine D2 and D3 receptors. It is used for studying the role of these receptors in the brain, in roles such as inhibitory autoreceptors that act to limit further dopamine release, as well as release of other neurotransmitters.
Smiles
C(CC)N1[C@@]2([C@](C=3C(OC2)=CC=C(O)C3)(OCC1)[H])[H]
Molecular Formula
C14H19NO3
Molecular Weight
249.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PD 128907
CAS Number123594-64-9
PubChem CID115107
IUPAC Name(4aS,10bS)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol
Molecular FormulaC14H19NO3
Molecular Weight249.30
XLogP2
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity286
SMILES
CCCN1CCO[C@@H]2[C@@H]1COC3=C2C=C(C=C3)O
InChI
InChI=1S/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
InChIKey
YOILXOMTHPUMRG-JSGCOSHPSA-N
Chemical Structure
2D Structure
2D structure of PD 128907
CAS: 123594-64-9
CID: 115107
Formula: C14H19NO3
MW: 249.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight249.30
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass249.13649347
Monoisotopic Mass249.13649347
Topological Polar Surface Area41.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes