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CB-6673567

CAT: 1410-M14307-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M14307-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CB-6673567 is a potent, selective Adenylyl Cyclase 1 (AC1) inhibitor with IC50 of 77 uM.
CAS Number
379218-90-3
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
346.346
Molecular Formula
C19H14N4O3
Notes
Research use only, not for human use.
Receptor
Adenylate Cyclase

Chemical Information

5-(1'-Phenyl-1H,1'H-[4,4']bipyrazolyl-3-yl)-benzo[1,3]dioxol-4-ol
CAS Number379218-90-3
PubChem CID797615
IUPAC Name5-[4-(1-phenylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,3-benzodioxol-4-ol
Molecular FormulaC19H14N4O3
Molecular Weight346.3
XLogP2.9
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity489
SMILES
C1OC2=C(O1)C(=C(C=C2)C3=C(C=NN3)C4=CN(N=C4)C5=CC=CC=C5)O
InChI
InChI=1S/C19H14N4O3/c24-18-14(6-7-16-19(18)26-11-25-16)17-15(9-20-22-17)12-8-21-23(10-12)13-4-2-1-3-5-13/h1-10,24H,11H2,(H,20,22)
InChIKey
IWOOEXODZOFLDQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(1'-Phenyl-1H,1'H-[4,4']bipyrazolyl-3-yl)-benzo[1,3]dioxol-4-ol
CAS: 379218-90-3
CID: 797615
Formula: C19H14N4O3
MW: 346.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.3
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass346.10659032
Monoisotopic Mass346.10659032
Topological Polar Surface Area85.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity489
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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