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Ar-H047108 free base

CAT: 0931-T69613-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T69613-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
248281-68-7
Target
Others
Related Pathways
Others
Bioactivity
Ar-H047108 free base is an imidazopyridine potassium competitive acid blocker (P-CAB) . This drug may be used to treat early stellate cell activation and veno-occlusive-disease (VOD) -like hepatotoxicity.
Smiles
N(CC1=C(CC)C=CC=C1C)C=2C=3N(C=C(C(N)=O)C2)C(C)=C(C)N3
Molecular Formula
C20H24N4O
Molecular Weight
336.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AR-H047108
CAS Number248281-68-7
PubChem CID9864291
IUPAC Name8-[(2-ethyl-6-methylphenyl)methylamino]-2,3-dimethylimidazo[1,2-a]pyridine-6-carboxamide
Molecular FormulaC20H24N4O
Molecular Weight336.4
XLogP4.1
Topological Polar Surface Area72.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity471
SMILES
CCC1=CC=CC(=C1CNC2=CC(=CN3C2=NC(=C3C)C)C(=O)N)C
InChI
InChI=1S/C20H24N4O/c1-5-15-8-6-7-12(2)17(15)10-22-18-9-16(19(21)25)11-24-14(4)13(3)23-20(18)24/h6-9,11,22H,5,10H2,1-4H3,(H2,21,25)
InChIKey
IDSZXCFCCNVXER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AR-H047108
CAS: 248281-68-7
CID: 9864291
Formula: C20H24N4O
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass336.19501140
Monoisotopic Mass336.19501140
Topological Polar Surface Area72.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity471
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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