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KN-93

CAT: 0607-A3532-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-A3532-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CaMKII inhibitor,selective and cometitive
CAS Number
139298-40-1
Product Name Alternative
N-[2-[[[(E)-3-(4-chlorophenyl)prop-2-enyl]-methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
Sequence
KN 93;KN93
Field of Research
Others CaM kinase II
Purity
0.9983
Form
A solid
Solubility
insoluble in H2O; ≥19.15 mg/mL in DMSO; ≥20.15 mg/mL in EtOH
Smiles
CN(CC=CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=C(C=C3)OC
Molecular Formula
C26H29ClN2O4S
Molecular Weight
501.04
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-(2-(((3-(4-Chlorophenyl)-2-propen-1-yl)methylamino)methyl)phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CAS Number139298-40-1
PubChem CID3837
IUPAC NameN-[2-[[3-(4-chlorophenyl)prop-2-enyl-methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
Molecular FormulaC26H29ClN2O4S
Molecular Weight501.0
XLogP4.5
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count34
Formal Charge0
Complexity713
SMILES
CN(CC=CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C26H29ClN2O4S/c1-28(17-5-6-21-9-11-23(27)12-10-21)20-22-7-3-4-8-26(22)29(18-19-30)34(31,32)25-15-13-24(33-2)14-16-25/h3-16,30H,17-20H2,1-2H3
InChIKey
LLLQTDSSHZREGW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(((3-(4-Chlorophenyl)-2-propen-1-yl)methylamino)methyl)phenyl)-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CAS: 139298-40-1
CID: 3837
Formula: C26H29ClN2O4S
MW: 501.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight501.0
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass500.1536563
Monoisotopic Mass500.1536563
Topological Polar Surface Area78.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity713
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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