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(S) -CVN424

CAT: 0013-GTR19189957Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189957Size:5 mg
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Description
(S) -CVN424 is a potent and selective GPR6 inverse agonist, a G-protein-coupled receptor implicated in striatal function. This research compound is utilized in both in vitro and in vivo studies to investigate pathways relevant to Parkinson's disease and other basal ganglia disorders.
CAS Number
1799968-74-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
CC (=O) N1CCc2nc (N3CCC (CC3) Oc3ccc (F) cc3F) c (N[C@H]3CCOC3) nc2C1
Molecular Formula
C24H29F2N5O3
Molecular Weight
473.525
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-{[(3S)-oxolan-3-yl]amino}-5H,6H,7H,8H-pyrido[3,4-b]pyrazin-6-yl}ethan-1-one
CAS Number1799968-74-3
PubChem CID118159164
IUPAC Name1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-[[(3S)-oxolan-3-yl]amino]-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone
Molecular FormulaC24H29F2N5O3
Molecular Weight473.5
XLogP2.4
Topological Polar Surface Area79.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity698
SMILES
CC(=O)N1CCC2=C(C1)N=C(C(=N2)N3CCC(CC3)OC4=C(C=C(C=C4)F)F)N[C@H]5CCOC5
InChI
InChI=1S/C24H29F2N5O3/c1-15(32)31-10-6-20-21(13-31)28-23(27-17-7-11-33-14-17)24(29-20)30-8-4-18(5-9-30)34-22-3-2-16(25)12-19(22)26/h2-3,12,17-18H,4-11,13-14H2,1H3,(H,27,28)/t17-/m0/s1
InChIKey
HSWVJQBEXRKOBZ-KRWDZBQOSA-N
Chemical Structure
2D Structure
2D structure of 1-{2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-{[(3S)-oxolan-3-yl]amino}-5H,6H,7H,8H-pyrido[3,4-b]pyrazin-6-yl}ethan-1-one
CAS: 1799968-74-3
CID: 118159164
Formula: C24H29F2N5O3
MW: 473.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight473.5
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass473.22384613
Monoisotopic Mass473.22384613
Topological Polar Surface Area79.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity698
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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