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EDI048

CAT: 0931-T79876-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T79876-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2767264-57-1
Target
Parasite, PI4K
Related Pathways
PI3K/Akt/mTOR signaling, Microbiology/Virology
Bioactivity
EDI048, also known as compound 1.16, is an orally active inhibitor of Cryptosporidium PI4K, utilized in the study of cryptosporidiosis [1].
Smiles
C(N(C)C1=CC(C(OC)=O)=C(Cl)C=C1)(=O)C2=CC3=C(C=NN3C=C2)C4=CC=C(C(NC)=O)C=C4
Molecular Formula
C25H21ClN4O4
Molecular Weight
476.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

methyl 2-chloro-5-(N-methyl-3-(4-(methylcarbamoyl)phenyl)pyrazolo[1,5-a]pyridine-5-carboxamido)benzoate
CAS Number2767264-57-1
PubChem CID163255390
IUPAC Namemethyl 2-chloro-5-[methyl-[3-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyridine-5-carbonyl]amino]benzoate
Molecular FormulaC25H21ClN4O4
Molecular Weight476.9
XLogP3.5
Topological Polar Surface Area93
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count34
Formal Charge0
Complexity759
SMILES
CNC(=O)C1=CC=C(C=C1)C2=C3C=C(C=CN3N=C2)C(=O)N(C)C4=CC(=C(C=C4)Cl)C(=O)OC
InChI
InChI=1S/C25H21ClN4O4/c1-27-23(31)16-6-4-15(5-7-16)20-14-28-30-11-10-17(12-22(20)30)24(32)29(2)18-8-9-21(26)19(13-18)25(33)34-3/h4-14H,1-3H3,(H,27,31)
InChIKey
UUGWSUYPJGPKKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of methyl 2-chloro-5-(N-methyl-3-(4-(methylcarbamoyl)phenyl)pyrazolo[1,5-a]pyridine-5-carboxamido)benzoate
CAS: 2767264-57-1
CID: 163255390
Formula: C25H21ClN4O4
MW: 476.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.9
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass476.1251329
Monoisotopic Mass476.1251329
Topological Polar Surface Area93 Ų
Heavy Atom Count34
Formal Charge0
Complexity759
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
MBS5821535EDI048

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