Products for Research Use Only
RegisterLogin

SB269652

CAT: 0931-T16857-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T16857-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
215802-15-6
Target
Others, Dopamine Receptor
Related Pathways
GPCR/G Protein, Neuroscience, Others
Bioactivity
SB269652 is the pioneering drug-like allosteric modulator of the dopamine D2 receptor.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
MBS3840244-01SB269652
A14191-25SB269652 25mg
A14191-5SB269652 5mg
A14191-10SB269652 10mg
A14191-50SB269652 50mg
A14191-100SB269652 100mg
A14191-1SB269652 1mg

Popular Products