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H-87

CAT: 0931-T71008-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T71008-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
130964-43-1
Target
Others
Related Pathways
Others
Bioactivity
H-87 is a protein kinase inhibitor and vasodilator.
Smiles
S(NCCNC(C=CC1=CC=C(Cl)C=C1)C)(=O)(=O)C=2C3=C(C=CC2)C=NC=C3
Molecular Formula
C21H22ClN3O2S
Molecular Weight
415.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(2-((4-(4-Chlorophenyl)but-3-en-2-yl)amino)ethyl)isoquinoline-5-sulfonamide
CAS Number130964-43-1
PubChem CID10485891
IUPAC NameN-[2-[[(E)-4-(4-chlorophenyl)but-3-en-2-yl]amino]ethyl]isoquinoline-5-sulfonamide
Molecular FormulaC21H22ClN3O2S
Molecular Weight415.9
XLogP3.8
Topological Polar Surface Area79.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity599
SMILES
CC(/C=C/C1=CC=C(C=C1)Cl)NCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3
InChI
InChI=1S/C21H22ClN3O2S/c1-16(5-6-17-7-9-19(22)10-8-17)24-13-14-25-28(26,27)21-4-2-3-18-15-23-12-11-20(18)21/h2-12,15-16,24-25H,13-14H2,1H3/b6-5+
InChIKey
FZYZXLRALSNJBT-AATRIKPKSA-N
Chemical Structure
2D Structure
2D structure of N-(2-((4-(4-Chlorophenyl)but-3-en-2-yl)amino)ethyl)isoquinoline-5-sulfonamide
CAS: 130964-43-1
CID: 10485891
Formula: C21H22ClN3O2S
MW: 415.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.9
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass415.1121258
Monoisotopic Mass415.1121258
Topological Polar Surface Area79.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity599
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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