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Y-29794 oxalate

CAT: 0607-B5153-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B5153-10Size:10 mg
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Description
Inhibitor of prolyl endopeptidase
CAS Number
146794-84-5
Product Name Alternative
(2-((8-(dimethylamino)octyl)thio)-6-isopropylpyridin-3-yl)(thiophen-2-yl)methanone oxalate
Field of Research
Proteases Other Proteases
Purity
0.98
Form
White solid
Solubility
<7.63mg/ml in ethanol; <7.63mg/ml in DMSO
Smiles
O=C(C1=CC=CS1)C2=CC=C(C(C)C)N=C2SCCCCCCCCN(C)C.OC(C(O)=O)=O
Molecular Formula
C23H34N2OS2·C2H2O4
Molecular Weight
508.69
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Y-29794 Oxalate
CAS Number146794-84-5
PubChem CID45073463
IUPAC Name[2-[8-(dimethylamino)octylsulfanyl]-6-propan-2-yl-3-pyridinyl]-thiophen-2-ylmethanone;oxalic acid
Molecular FormulaC25H36N2O5S2
Molecular Weight508.7
Topological Polar Surface Area161
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count34
Formal Charge0
Complexity516
SMILES
CC(C)C1=NC(=C(C=C1)C(=O)C2=CC=CS2)SCCCCCCCCN(C)C.C(=O)(C(=O)O)O
InChI
InChI=1S/C23H34N2OS2.C2H2O4/c1-18(2)20-14-13-19(22(26)21-12-11-17-27-21)23(24-20)28-16-10-8-6-5-7-9-15-25(3)4;3-1(4)2(5)6/h11-14,17-18H,5-10,15-16H2,1-4H3;(H,3,4)(H,5,6)
InChIKey
UUSSHPPSOUAHHP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Y-29794 Oxalate
CAS: 146794-84-5
CID: 45073463
Formula: C25H36N2O5S2
MW: 508.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight508.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass508.20656460
Monoisotopic Mass508.20656460
Topological Polar Surface Area161 Ų
Heavy Atom Count34
Formal Charge0
Complexity516
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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T23541-01Y-29794 oxalate
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A16025-5Y-29794 oxalate 5mg
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A16025-10Y-29794 oxalate 10mg
A16025-50Y-29794 oxalate 50mg
A16025-100Y-29794 oxalate 100mg
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