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AD 8717

CAT: 0931-T29635-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29635-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
181821-99-8
Target
Others
Related Pathways
Others
Bioactivity
AD 8717 has a wide range of applications in life science related research.
Smiles
COc1ccc(CS(=O)c2ncccc2C(=O)Nc2cc(C)nc(C)c2)c(OC)c1
Molecular Formula
C22H23N3O4S
Molecular Weight
425.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-(2,6-dimethylpyridin-4-yl)pyridine-3-carboxamide
CAS Number181821-99-8
PubChem CID177362
IUPAC Name2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-(2,6-dimethyl-4-pyridinyl)pyridine-3-carboxamide
Molecular FormulaC22H23N3O4S
Molecular Weight425.5
XLogP2.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity583
SMILES
CC1=CC(=CC(=N1)C)NC(=O)C2=C(N=CC=C2)S(=O)CC3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C22H23N3O4S/c1-14-10-17(11-15(2)24-14)25-21(26)19-6-5-9-23-22(19)30(27)13-16-7-8-18(28-3)12-20(16)29-4/h5-12H,13H2,1-4H3,(H,24,25,26)
InChIKey
PKZCOQYQGMAVLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[(2,4-dimethoxyphenyl)methylsulfinyl]-N-(2,6-dimethylpyridin-4-yl)pyridine-3-carboxamide
CAS: 181821-99-8
CID: 177362
Formula: C22H23N3O4S
MW: 425.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.5
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass425.14092740
Monoisotopic Mass425.14092740
Topological Polar Surface Area110 Ų
Heavy Atom Count30
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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