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PPARδ agonist 8

CAT: 0013-GTR19186331-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186331-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PPARδ agonist 8
CAS Number
2697129-55-6
Field of Research
Metabolism Research, Molecular Biology, Pharmacology & Drug Discovery
Smiles
C (CCC1=CC (C) =C (OC (C (O) =O) (C) C) C (C) =C1) (O) C=2C (OC) =NC3=C (C2) C=CC=C3
Molecular Formula
C25H29NO5
Molecular Weight
423.5
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PPARdelta agonist 8
CAS Number2697129-55-6
PubChem CID155607454
IUPAC Name2-[4-[3-hydroxy-3-(2-methoxyquinolin-3-yl)propyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
Molecular FormulaC25H29NO5
Molecular Weight423.5
XLogP4.8
Topological Polar Surface Area88.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity584
SMILES
CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)CCC(C2=CC3=CC=CC=C3N=C2OC)O
InChI
InChI=1S/C25H29NO5/c1-15-12-17(13-16(2)22(15)31-25(3,4)24(28)29)10-11-21(27)19-14-18-8-6-7-9-20(18)26-23(19)30-5/h6-9,12-14,21,27H,10-11H2,1-5H3,(H,28,29)
InChIKey
DHSPANNHTRRKRI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PPARdelta agonist 8
CAS: 2697129-55-6
CID: 155607454
Formula: C25H29NO5
MW: 423.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.5
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass423.20457303
Monoisotopic Mass423.20457303
Topological Polar Surface Area88.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity584
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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