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SB269652

CAT: 0013-GTR19203116-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203116-03Size:100 mg
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Description
SB269652 is a novel, drug-like allosteric modulator targeting the dopamine D2 receptor. This research compound enables the study of D2R signaling modulation and is a valuable tool for in vitro and in vivo investigations in neuropharmacology and psychiatric disorder research.
CAS Number
215802-15-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (N[C@@H]1CC[C@@H] (CCN2CC=3C (CC2) =CC=C (C#N) C3) CC1) (=O) C4=CC=5C (N4) =CC=CC5
Molecular Formula
C27H30N4O
Molecular Weight
426.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide
CAS Number215802-15-6
PubChem CID9910352
IUPAC NameN-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide
Molecular FormulaC27H30N4O
Molecular Weight426.6
XLogP4.8
Topological Polar Surface Area71.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity693
SMILES
C1CC(CCC1CCN2CCC3=C(C2)C=C(C=C3)C#N)NC(=O)C4=CC5=CC=CC=C5N4
InChI
InChI=1S/C27H30N4O/c28-17-20-5-8-21-12-14-31(18-23(21)15-20)13-11-19-6-9-24(10-7-19)29-27(32)26-16-22-3-1-2-4-25(22)30-26/h1-5,8,15-16,19,24,30H,6-7,9-14,18H2,(H,29,32)
InChIKey
JGLGOAQPUQITLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[2-(7-cyano-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexyl]-1H-indole-2-carboxamide
CAS: 215802-15-6
CID: 9910352
Formula: C27H30N4O
MW: 426.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass426.24196159
Monoisotopic Mass426.24196159
Topological Polar Surface Area71.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity693
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

CatalogName
T16857-01SB269652
A14191-25SB269652 25mg
A14191-5SB269652 5mg
A14191-10SB269652 10mg
A14191-50SB269652 50mg
A14191-100SB269652 100mg
A14191-1SB269652 1mg

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