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AG-17724

CAT: 0931-T68446-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T68446-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
884033-66-3
Target
Others
Related Pathways
Others
Bioactivity
AG-17724 is a potent peptidyl-prolyl isomerase (PPIase) Pin1 inhibitor.
Smiles
C([C@@H](NC(=O)C1=CC2=C(C=C1)C=CC=C2)C(O)=O)C=3NC=4C(N3)=CC(F)=CC4
Molecular Formula
C21H16FN3O3
Molecular Weight
377.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

AG-17724
CAS Number884033-66-3
PubChem CID11675244
IUPAC Name(2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-(naphthalene-2-carbonylamino)propanoic acid
Molecular FormulaC21H16FN3O3
Molecular Weight377.4
XLogP3.7
Topological Polar Surface Area95.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity589
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)N[C@H](CC3=NC4=C(N3)C=C(C=C4)F)C(=O)O
InChI
InChI=1S/C21H16FN3O3/c22-15-7-8-16-17(10-15)24-19(23-16)11-18(21(27)28)25-20(26)14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,23,24)(H,25,26)(H,27,28)/t18-/m1/s1
InChIKey
NKMPZFCFXCJBEY-GOSISDBHSA-N
Chemical Structure
2D Structure
2D structure of AG-17724
CAS: 884033-66-3
CID: 11675244
Formula: C21H16FN3O3
MW: 377.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass377.11756954
Monoisotopic Mass377.11756954
Topological Polar Surface Area95.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity589
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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