Products for Research Use Only

AZD7254

CAT: 0013-GTR19186625-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186625-03Size:100 mg
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Description
AZD7254 is a potent and orally bioavailable Smoothened (SMO) antagonist with an EC50 of 1.0 nM against Sonic Hedgehog (Shh) signaling. This inhibitor is a valuable research tool for investigating the Hedgehog pathway in both cellular assays and in vivo models of related cancers and disorders.
CAS Number
1126366-28-6
Field of Research
Stem Cell & Developmental Biology
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
Storage Conditions
-20°C
Notes
For research use only.

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...
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

Alternative Products

CatalogName
T61895-01AZD7254