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CX-6258 hydrochloride

CAT: 0127-BUP12580-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12580-01Size:5 mg
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CAS Number
1353859-00-3
Synonyms
CX-6258 HCl, Pim-Kinase Inhibitor X
Purity
=95%
Smiles
Cl.CN1CCCN(CC1)C(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)Nc3ccc(Cl)cc23)o1

Chemical Information

(E)-5-Chloro-3-((5-(3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl)furan-2-yl)methylene)indolin-2-one hydrochloride
CAS Number1353859-00-3
PubChem CID72201040
IUPAC Name(3E)-5-chloro-3-[[5-[3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one;hydrochloride
Molecular FormulaC26H25Cl2N3O3
Molecular Weight498.4
Topological Polar Surface Area65.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity774
SMILES
CN1CCCN(CC1)C(=O)C2=CC=CC(=C2)C3=CC=C(O3)/C=C/4\C5=C(C=CC(=C5)Cl)NC4=O.Cl
InChI
InChI=1S/C26H24ClN3O3.ClH/c1-29-10-3-11-30(13-12-29)26(32)18-5-2-4-17(14-18)24-9-7-20(33-24)16-22-21-15-19(27)6-8-23(21)28-25(22)31;/h2,4-9,14-16H,3,10-13H2,1H3,(H,28,31);1H/b22-16+;
InChIKey
YYIMMVXTWBIEAG-YHLMHSEJSA-N
Chemical Structure
2D Structure
2D structure of (E)-5-Chloro-3-((5-(3-(4-methyl-1,4-diazepane-1-carbonyl)phenyl)furan-2-yl)methylene)indolin-2-one hydrochloride
CAS: 1353859-00-3
CID: 72201040
Formula: C26H25Cl2N3O3
MW: 498.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight498.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass497.1272971
Monoisotopic Mass497.1272971
Topological Polar Surface Area65.8 Ų
Heavy Atom Count34
Formal Charge0
Complexity774
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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A15055-100CX-6258 hydrochloride hydrate 100mg
A15055-50CX-6258 hydrochloride hydrate 50mg
A15055-10CX-6258 hydrochloride hydrate 10mg
A15055-2CX-6258 hydrochloride hydrate 2mg
A15055-5CX-6258 hydrochloride hydrate 5mg

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