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Dovitinib

CAT: 0127-BUP15395-04Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15395-04Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
405169-16-6
Synonyms
TKI258, CHIR-258
Purity
=98%
Smiles
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

Chemical Information

Dovitinib

4-amino-5-fluoro-3-[5-(4-methyl-1-piperazinyl)-1,3-dihydrobenzimidazol-2-ylidene]-2-quinolinone is a N-arylpiperazine.

CAS Number405169-16-6
PubChem CID135398510
IUPAC Name4-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
Molecular FormulaC21H21FN6O
Molecular Weight392.4
XLogP1.6
Topological Polar Surface Area90.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count29
Formal Charge0
Complexity678
SMILES
CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C(C5=C(C=CC=C5F)NC4=O)N
InChI
InChI=1S/C21H21FN6O/c1-27-7-9-28(10-8-27)12-5-6-14-16(11-12)25-20(24-14)18-19(23)17-13(22)3-2-4-15(17)26-21(18)29/h2-6,11H,7-10H2,1H3,(H,24,25)(H3,23,26,29)
InChIKey
PIQCTGMSNWUMAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dovitinib
CAS: 405169-16-6
CID: 135398510
Formula: C21H21FN6O
MW: 392.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.4
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass392.17608748
Monoisotopic Mass392.17608748
Topological Polar Surface Area90.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity678
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

Alternative Products

CatalogName
HY-50905-01Dovitinib
WZB81984-01Dovitinib-d8
T7104-01Dovitinib lactate
MBS5819600Dovitinib-RIBOTAC
A11411-100Dovitinib 100mg
E1KS1018Dovitinib (TKI258)
A11411-25Dovitinib 25mg
HY-10207-01Dovitinib (lactate)

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