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Sirt2-IN-1

CAT: 0607-BA4515-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4515-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1862238-00-3
Form
A solid
Molecular Formula
C28H27N7O2S2
Molecular Weight
557.69
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

N-(5-{3-[(1-Benzyl-1h-1,2,3-Triazol-4-Yl)methoxy]benzyl}-1,3-Thiazol-2-Yl)-2-[(4,6-Dimethylpyrimidin-2-Yl)sulfanyl]acetamide
CAS Number1862238-00-3
PubChem CID112499922
IUPAC NameN-[5-[[3-[(1-benzyltriazol-4-yl)methoxy]phenyl]methyl]-1,3-thiazol-2-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
Molecular FormulaC28H27N7O2S2
Molecular Weight557.7
XLogP4.9
Topological Polar Surface Area161
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity751
SMILES
CC1=CC(=NC(=N1)SCC(=O)NC2=NC=C(S2)CC3=CC(=CC=C3)OCC4=CN(N=N4)CC5=CC=CC=C5)C
InChI
InChI=1S/C28H27N7O2S2/c1-19-11-20(2)31-28(30-19)38-18-26(36)32-27-29-14-25(39-27)13-22-9-6-10-24(12-22)37-17-23-16-35(34-33-23)15-21-7-4-3-5-8-21/h3-12,14,16H,13,15,17-18H2,1-2H3,(H,29,32,36)
InChIKey
YWLNYZXFIAFWSF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(5-{3-[(1-Benzyl-1h-1,2,3-Triazol-4-Yl)methoxy]benzyl}-1,3-Thiazol-2-Yl)-2-[(4,6-Dimethylpyrimidin-2-Yl)sulfanyl]acetamide
CAS: 1862238-00-3
CID: 112499922
Formula: C28H27N7O2S2
MW: 557.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight557.7
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass557.16676548
Monoisotopic Mass557.16676548
Topological Polar Surface Area161 Ų
Heavy Atom Count39
Formal Charge0
Complexity751
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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