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AZD8542

CAT: 0013-GTR19198164-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198164-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AZD8542
CAS Number
1126366-36-6
Product Name Alternative
Hedgehog, AZD8542, AZD-8542, AZD 8542, Smoothened, Smo
Field of Research
Pharmacology & Drug Discovery, Stem Cell & Developmental Biology
Purity
99.96% (May vary between batches)
Smiles
O=C (NC1=CC (C=2N=CN (C2) C) =C (C=C1C) C) C3=CC=C (OCC4=NC=CC=C4) C=C3
Molecular Formula
C25H24N4O2
Molecular Weight
412.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Azd8542

inhibits hedgehog signalling; structure in first source

CAS Number1126366-36-6
PubChem CID53344810
IUPAC NameN-[2,4-dimethyl-5-(1-methylimidazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
Molecular FormulaC25H24N4O2
Molecular Weight412.5
XLogP3.7
Topological Polar Surface Area69
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity580
SMILES
CC1=CC(=C(C=C1C2=CN(C=N2)C)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=N4)C
InChI
InChI=1S/C25H24N4O2/c1-17-12-18(2)23(13-22(17)24-14-29(3)16-27-24)28-25(30)19-7-9-21(10-8-19)31-15-20-6-4-5-11-26-20/h4-14,16H,15H2,1-3H3,(H,28,30)
InChIKey
SMQVBAGSZVHCJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azd8542
CAS: 1126366-36-6
CID: 53344810
Formula: C25H24N4O2
MW: 412.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass412.18992602
Monoisotopic Mass412.18992602
Topological Polar Surface Area69 Ų
Heavy Atom Count31
Formal Charge0
Complexity580
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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