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Tavapadon

CAT: 0931-T16999-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T16999-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1643489-24-0
Target
Dopamine Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.998
Bioactivity
Tavapadon (CVL-751) is an orally active and highly selective dopamine D1/D5 receptor partial agonist.
Smiles
CC1=C(C=CC(OC2=C(C(F)(F)F)C=CC=N2)=C1)C3=C(C)C(=O)NC(=O)N3C
Molecular Formula
C19H16F3N3O3
Molecular Weight
391.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tavapadon

Tavapadon is under investigation in clinical trial NCT02262767 (A Study to Investigate the Safety, Tolerability, and Pharmacokinetics of PF-06649751 Co-administered With Trimethobenzamide Hydrochloride in Healthy Subjects).

CAS Number1643489-24-0
PubChem CID86764100
IUPAC Name1,5-dimethyl-6-[2-methyl-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-2,4-dione
Molecular FormulaC19H16F3N3O3
Molecular Weight391.3
XLogP3.3
Topological Polar Surface Area71.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity665
SMILES
CC1=C(C=CC(=C1)OC2=C(C=CC=N2)C(F)(F)F)C3=C(C(=O)NC(=O)N3C)C
InChI
InChI=1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)
InChIKey
AKQXQLUNFKDZBN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tavapadon
CAS: 1643489-24-0
CID: 86764100
Formula: C19H16F3N3O3
MW: 391.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.3
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass391.11437587
Monoisotopic Mass391.11437587
Topological Polar Surface Area71.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity665
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

Alternative Products

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MBS133072Tavapadon
HY-119486A-01(Rac) -Tavapadon

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