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CYM 9484

CAT: 0607-B5654-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B5654-50Size: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) Y2 receptor antagonist
CAS Number
1383478-94-1
Product Name Alternative
N-(4-(N,N-dimethylsulfamoyl)phenyl)-4-(hydroxydiphenylmethyl)piperidine-1-carbothioamide
Field of Research
GPCR G protein NPY Receptors
Form
Off-white solid
Solubility
<50.96mg/ml in DMSO
Smiles
CN(S(C1=CC=C(NC(N2CCC(C(C3=CC=CC=C3)(O)C4=CC=CC=C4)CC2)=S)C=C1)(=O)=O)C
Molecular Formula
C27H31N3O3S2
Molecular Weight
509.63
Shipping Conditions
Blue ice
Storage Conditions
Store at RT.

Chemical Information

N-[4-[(Dimethylamino)sulfonyl]phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinecarbothioamide
CAS Number1383478-94-1
PubChem CID66561564
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide
Molecular FormulaC27H31N3O3S2
Molecular Weight509.7
XLogP3.9
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count35
Formal Charge0
Complexity767
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C27H31N3O3S2/c1-29(2)35(32,33)25-15-13-24(14-16-25)28-26(34)30-19-17-23(18-20-30)27(31,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,31H,17-20H2,1-2H3,(H,28,34)
InChIKey
VAUKHARIAMDAGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[(Dimethylamino)sulfonyl]phenyl]-4-(hydroxydiphenylmethyl)-1-piperidinecarbothioamide
CAS: 1383478-94-1
CID: 66561564
Formula: C27H31N3O3S2
MW: 509.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight509.7
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass509.18068421
Monoisotopic Mass509.18068421
Topological Polar Surface Area113 Ų
Heavy Atom Count35
Formal Charge0
Complexity767
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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