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MAZ51

CAT: 0607-C3342-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-C3342-25Size:25 mg
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Description
VEGFR3 antagonist
CAS Number
163655-37-6
Product Name Alternative
3-[[4-(dimethylamino)-1-naphthalenyl]methylene]-1,3-dihydro-2H-indol-2-one
Field of Research
Tyrosine Kinase VEGFR
Purity
0.9955
Solubility
insoluble in EtOH; insoluble in H2O; ≥31.4 mg/mL in DMSO with gentle warming and ultrasonic
Smiles
CN(C)C1=C(C=CC=C2)C2=C(/C=C3C(NC4=C/3C=CC=C4)=O)C=C1
Molecular Formula
C21H18N2O
Molecular Weight
314.4
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

3-(4-Dimethylaminonaphthalen-1-ylmethylene)-1,3-dihydroindol-2-one
CAS Number163655-37-6
PubChem CID24906291
IUPAC Name3-[[4-(dimethylamino)naphthalen-1-yl]methylidene]-1H-indol-2-one
Molecular FormulaC21H18N2O
Molecular Weight314.4
XLogP4.3
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity512
SMILES
CN(C)C1=CC=C(C2=CC=CC=C21)C=C3C4=CC=CC=C4NC3=O
InChI
InChI=1S/C21H18N2O/c1-23(2)20-12-11-14(15-7-3-4-9-17(15)20)13-18-16-8-5-6-10-19(16)22-21(18)24/h3-13H,1-2H3,(H,22,24)
InChIKey
VFCXONOPGCDDBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Dimethylaminonaphthalen-1-ylmethylene)-1,3-dihydroindol-2-one
CAS: 163655-37-6
CID: 24906291
Formula: C21H18N2O
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass314.141913202
Monoisotopic Mass314.141913202
Topological Polar Surface Area32.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity512
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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