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AZD7254

CAT: 0931-T61895-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T61895-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1126366-28-6
Target
Others, Smo
Related Pathways
Stem Cells, Others
Bioactivity
AZD7254 is an oral effective Smoothened (SMO) inhibitor, and the EC50 of sonic Hh protein (shh) is 1.0 nM.
Smiles
CC=1C(=CC(NC(=O)C2=CC=C(OCC3=CC=CC=N3)C=C2)=C(C)C1)C=4NC=CN4
Molecular Formula
C24H22N4O2
Molecular Weight
398.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[5-(1H-Imidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CAS Number1126366-28-6
PubChem CID25253713
IUPAC NameN-[5-(1H-imidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
Molecular FormulaC24H22N4O2
Molecular Weight398.5
XLogP3.7
Topological Polar Surface Area79.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity551
SMILES
CC1=CC(=C(C=C1C2=NC=CN2)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=N4)C
InChI
InChI=1S/C24H22N4O2/c1-16-13-17(2)22(14-21(16)23-26-11-12-27-23)28-24(29)18-6-8-20(9-7-18)30-15-19-5-3-4-10-25-19/h3-14H,15H2,1-2H3,(H,26,27)(H,28,29)
InChIKey
BEZRNHWRVKFZJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[5-(1H-Imidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CAS: 1126366-28-6
CID: 25253713
Formula: C24H22N4O2
MW: 398.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight398.5
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass398.17427596
Monoisotopic Mass398.17427596
Topological Polar Surface Area79.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity551
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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CatalogName
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