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AP-C5

CAT: 0931-T60500-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T60500-02Size:10 mg
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CAS Number
2234272-10-5
Target
Parasite
Related Pathways
Microbiology/Virology
Purity
0.9982
Bioactivity
AP-C5 is a compound with selective inhibition of guanosine 3',5' cyclic monophosphate (cGMP) -dependent protein kinase II (cGKII), with a Pic50 value of 7.2 for cGMP, and can be used in the study of diarrheal diseases.
Smiles
N(CC#C)C=1N=C(C2=CC=C(C=C2)N3C=CN=C3)C=CN1
Molecular Formula
C16H13N5
Molecular Weight
275.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CID 137919866
CAS Number2234272-10-5
PubChem CID137919866
IUPAC Name4-(4-imidazol-1-ylphenyl)-N-prop-2-ynylpyrimidin-2-amine
Molecular FormulaC16H13N5
Molecular Weight275.31
XLogP2
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity368
SMILES
C#CCNC1=NC=CC(=N1)C2=CC=C(C=C2)N3C=CN=C3
InChI
InChI=1S/C16H13N5/c1-2-8-18-16-19-9-7-15(20-16)13-3-5-14(6-4-13)21-11-10-17-12-21/h1,3-7,9-12H,8H2,(H,18,19,20)
InChIKey
QKHQFSQJQKGFAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 137919866
CAS: 2234272-10-5
CID: 137919866
Formula: C16H13N5
MW: 275.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight275.31
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass275.11709544
Monoisotopic Mass275.11709544
Topological Polar Surface Area55.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity368
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