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U-34728E free base

CAT: 0013-GTR19222715-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222715-02Size:500 mg
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Description
U-34728E free base is a bioactive small molecule utilized in biochemical research. It serves as a tool compound for in vitro and in vivo studies, particularly in neuroscience and pharmacology, to investigate receptor interactions and cellular signaling pathways.
CAS Number
40984-87-0
Smiles
CCCC1CC (N (CCO) C1) C (=O) NC (C (C) Cl) C1OC (SC) C (O) C (O) C1O
Molecular Formula
C19H35ClN2O6S
Molecular Weight
455.01
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

L-Threo-alpha-D-galacto-octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-((((2S,4R)-1-(2-hydroxyethyl)-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-
CAS Number40984-87-0
PubChem CID133082159
IUPAC Name(2S,4R)-N-[(1S,2S)-2-chloro-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl]propyl]-1-(2-hydroxyethyl)-4-propylpyrrolidine-2-carboxamide
Molecular FormulaC19H35ClN2O6S
Molecular Weight455.0
XLogP1.5
Topological Polar Surface Area148
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity533
SMILES
CCC[C@@H]1C[C@H](N(C1)CCO)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@H](C)Cl
InChI
InChI=1S/C19H35ClN2O6S/c1-4-5-11-8-12(22(9-11)6-7-23)18(27)21-13(10(2)20)17-15(25)14(24)16(26)19(28-17)29-3/h10-17,19,23-26H,4-9H2,1-3H3,(H,21,27)/t10-,11+,12-,13+,14-,15+,16+,17+,19+/m0/s1
InChIKey
CDTZISBEQQFYAY-YLKLGEPYSA-N
Chemical Structure
2D Structure
2D structure of L-Threo-alpha-D-galacto-octopyranoside, methyl 7-chloro-6,7,8-trideoxy-6-((((2S,4R)-1-(2-hydroxyethyl)-4-propyl-2-pyrrolidinyl)carbonyl)amino)-1-thio-
CAS: 40984-87-0
CID: 133082159
Formula: C19H35ClN2O6S
MW: 455.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.0
XLogP31.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass454.1904357
Monoisotopic Mass454.1904357
Topological Polar Surface Area148 Ų
Heavy Atom Count29
Formal Charge0
Complexity533
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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