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VU 0255035

CAT: 0013-GTR19216724-07Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19216724-07Size:500 mg
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Description
VU 0255035 is a highly selective, competitive and brain penetrant muscarinic M1 receptor antagonist with an IC50 of 130 nM. It reduces pilocarpine-induced seizures in mice. It is used to examine the role of the M1 receptor in diverse situations.
CAS Number
1135243-19-4
Product Name Alternative
VU 255035
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 62.5 mg/mL (144.50 mM)
Smiles
O=C (CCNS (=O) (=O) c1cccc2nsnc12) N1CCN (CC1) c1ccncc1
Molecular Formula
C18H20N6O3S2
Molecular Weight
432.52
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

VU0255035

N-[3-oxo-3-(4-pyridin-4-yl-1-piperazinyl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide is a member of piperazines and a member of pyridines.

CAS Number1135243-19-4
PubChem CID24768606
IUPAC NameN-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide
Molecular FormulaC18H20N6O3S2
Molecular Weight432.5
XLogP0.7
Topological Polar Surface Area145
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity659
SMILES
C1CN(CCN1C2=CC=NC=C2)C(=O)CCNS(=O)(=O)C3=CC=CC4=NSN=C43
InChI
InChI=1S/C18H20N6O3S2/c25-17(24-12-10-23(11-13-24)14-4-7-19-8-5-14)6-9-20-29(26,27)16-3-1-2-15-18(16)22-28-21-15/h1-5,7-8,20H,6,9-13H2
InChIKey
WXDHQWPQLKGANZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU0255035
CAS: 1135243-19-4
CID: 24768606
Formula: C18H20N6O3S2
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass432.10383087
Monoisotopic Mass432.10383087
Topological Polar Surface Area145 Ų
Heavy Atom Count29
Formal Charge0
Complexity659
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

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CatalogName
BUP11596-01VU 0255035

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