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AZ 960

CAT: 0498-bs-75632C-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0498-bs-75632C-03Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
905586-69-8
Conjugation
Unconjugated
Purity
>95%
Buffer
Solid
Solubility
Soluble in DMSO (20mg/ml), DMF (20mg/ml) or ethanol (2mg/ml) .
Smiles
FC1=C(NC2=NNC(C)=C2)N=C(N[C@@H](C)C3=CC=C(F)C=C3)C(C#N)=C1
Molecular Formula
C18H16F2N6
Molecular Weight
354.4
Storage Conditions
Stable for 2 years after receipt when stored at -20°C.
Appearance
White to off-white solid.

Chemical Information

AZ-960
CAS Number905586-69-8
PubChem CID25099184
IUPAC Name5-fluoro-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyridine-3-carbonitrile
Molecular FormulaC18H16F2N6
Molecular Weight354.4
XLogP4.4
Topological Polar Surface Area89.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity503
SMILES
CC1=CC(=NN1)NC2=C(C=C(C(=N2)N[C@@H](C)C3=CC=C(C=C3)F)C#N)F
InChI
InChI=1S/C18H16F2N6/c1-10-7-16(26-25-10)23-18-15(20)8-13(9-21)17(24-18)22-11(2)12-3-5-14(19)6-4-12/h3-8,11H,1-2H3,(H3,22,23,24,25,26)/t11-/m0/s1
InChIKey
SUNXHXDJOIXABJ-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of AZ-960
CAS: 905586-69-8
CID: 25099184
Formula: C18H16F2N6
MW: 354.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.4
XLogP34.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass354.14045086
Monoisotopic Mass354.14045086
Topological Polar Surface Area89.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity503
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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CatalogName
bs-6675C-01TAK-960

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