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LU AA33810

CAT: 0607-B7427-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B7427-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
neuropeptide Y (NPY) Y5 receptor antagonist
CAS Number
304008-29-5
Product Name Alternative
N-(((1r,4r)-4-((Z)-(4,5-dihydrobenzo[2,3]thiepino[4,5-d]thiazol-2(1H)-ylidene)amino)cyclohexyl)methyl)methanesulfonamide
Field of Research
GPCR G protein NPY Receptors
Form
White solid
Solubility
<42.36mg/ml in DMSO
Smiles
CS(NC[C@@]1([H])CC[C@@](/N=C2NC3=C(S/2)CCSC4=CC=CC=C43)([H])CC1)(=O)=O
Molecular Formula
C19H25N3O2S3
Molecular Weight
423.62
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide
CAS Number304008-29-5
PubChem CID22254068
IUPAC NameN-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide
Molecular FormulaC19H25N3O2S3
Molecular Weight423.6
XLogP4.1
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity589
SMILES
CS(=O)(=O)NCC1CCC(CC1)NC2=NC3=C(S2)CCSC4=CC=CC=C43
InChI
InChI=1S/C19H25N3O2S3/c1-27(23,24)20-12-13-6-8-14(9-7-13)21-19-22-18-15-4-2-3-5-16(15)25-11-10-17(18)26-19/h2-5,13-14,20H,6-12H2,1H3,(H,21,22)
InChIKey
UWSBTSAJZMIHBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[[4-(4,5-dihydro-[1]benzothiepino[5,4-d][1,3]thiazol-2-ylamino)cyclohexyl]methyl]methanesulfonamide
CAS: 304008-29-5
CID: 22254068
Formula: C19H25N3O2S3
MW: 423.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.6
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass423.11089057
Monoisotopic Mass423.11089057
Topological Polar Surface Area133 Ų
Heavy Atom Count27
Formal Charge0
Complexity589
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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