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ROS kinases-IN-1

CAT: 0013-GTR19243963-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243963-01Size:500 mg
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Description
ROS kinases-IN-1 (pag 98) is a ROS tyrosine kinase inhibitor with IC50 value of 1.22 μM. ROS kinases-IN-1 shows anti-tumor activity.
CAS Number
370096-57-4
Field of Research
Signal Transduction
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 20.83 mg/mL (63.43 mM; Ultrasonic (<60°C)
Smiles
CC1=NNC (=O) \C1=C\c1cn (nc1-c1ccccc1) -c1ccccc1
Molecular Formula
C20H16N4O
Molecular Weight
328.37
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

4-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CAS Number370096-57-4
PubChem CID6258408
IUPAC Name(4Z)-4-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-methyl-1H-pyrazol-5-one
Molecular FormulaC20H16N4O
Molecular Weight328.4
XLogP3.3
Topological Polar Surface Area59.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity558
SMILES
CC\1=NNC(=O)/C1=C\C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H16N4O/c1-14-18(20(25)22-21-14)12-16-13-24(17-10-6-3-7-11-17)23-19(16)15-8-4-2-5-9-15/h2-13H,1H3,(H,22,25)/b18-12-
InChIKey
DGSFFYVACCJJGR-PDGQHHTCSA-N
Chemical Structure
2D Structure
2D structure of 4-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CAS: 370096-57-4
CID: 6258408
Formula: C20H16N4O
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass328.13241115
Monoisotopic Mass328.13241115
Topological Polar Surface Area59.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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