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Axitinib analogue 1

CAT: 0804-HY-10920-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-10920-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Axitinib analogue 1 is a analogue of Axitinib.
CAS Number
319463-51-9
UNSPSC
12352005
Hazard Statement
H302-H319-H372-H410
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/axitinib-analogue-1.html
Solubility
10 mM in DMSO
Smiles
O=C(NC)C1=CC=CC(SC2=CC3=C(C=C2)C(/C=C/C4=NC=CC=C4)=NN3)=C1.[H]Cl
Molecular Formula
C22H19ClN4OS
Molecular Weight
422.93
Precautions
P260-P264-P270-P273-P280-P305+P351+P338-P330-P391-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(E)-N-Methyl-3-((3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thio)benzamide hydrochloride
CAS Number319463-51-9
PubChem CID131852395
IUPAC NameN-methyl-3-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;hydrochloride
Molecular FormulaC22H19ClN4OS
Molecular Weight422.9
Topological Polar Surface Area96
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity557
SMILES
CNC(=O)C1=CC(=CC=C1)SC2=CC3=C(C=C2)C(=NN3)/C=C/C4=CC=CC=N4.Cl
InChI
InChI=1S/C22H18N4OS.ClH/c1-23-22(27)15-5-4-7-17(13-15)28-18-9-10-19-20(25-26-21(19)14-18)11-8-16-6-2-3-12-24-16;/h2-14H,1H3,(H,23,27)(H,25,26);1H/b11-8+;
InChIKey
SGVUWKICTZTAPA-YGCVIUNWSA-N
Chemical Structure
2D Structure
2D structure of (E)-N-Methyl-3-((3-(2-(pyridin-2-yl)vinyl)-1H-indazol-6-yl)thio)benzamide hydrochloride
CAS: 319463-51-9
CID: 131852395
Formula: C22H19ClN4OS
MW: 422.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass422.0968101
Monoisotopic Mass422.0968101
Topological Polar Surface Area96 Ų
Heavy Atom Count29
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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