Products for Research Use Only

Pentiapine

CAT: 0013-GTR19176946-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19176946-06Size:50 mg
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Description
Pentiapine (CGS 10746) is a novel small molecule that potently inhibits dopamine release. This compound is utilized in neuroscience research to study dopaminergic neurotransmission, with applications in both in vitro assays and in vivo models for investigating psychiatric and neurological disorders.
CAS Number
81382-51-6
Product Name Alternative
Dopamine, Dopamine Receptor, DopamineReceptor, CGS10746, CGS-10746, CGS 10746, inhibit, Inhibitor, Pentiapine
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
98.93% (May vary between batches)
Solubility
DMSO:100 mg/mL (334.01 mM)
Smiles
CN1CCN (CC1) C1=Nc2ccccc2Sc2nccn12
Molecular Formula
C15H17N5S
Molecular Weight
299.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pentiapine

Pentiapine is an aryl sulfide.

CAS Number81382-51-6
PubChem CID54742
IUPAC Name5-(4-methylpiperazin-1-yl)imidazo[2,1-b][1,3,5]benzothiadiazepine
Molecular FormulaC15H17N5S
Molecular Weight299.4
XLogP3.5
Topological Polar Surface Area62
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count21
Formal Charge0
Complexity407
SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=NC=CN24
InChI
InChI=1S/C15H17N5S/c1-18-8-10-19(11-9-18)14-17-12-4-2-3-5-13(12)21-15-16-6-7-20(14)15/h2-7H,8-11H2,1H3
InChIKey
FACMWMBWGSPRKO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentiapine
CAS: 81382-51-6
CID: 54742
Formula: C15H17N5S
MW: 299.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight299.4
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass299.12046674
Monoisotopic Mass299.12046674
Topological Polar Surface Area62 Ų
Heavy Atom Count21
Formal Charge0
Complexity407
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