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HA-100 (hydrochloride)

CAT: 0607-C4953-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-C4953-50Size:50 mg
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Description
inhibitor of protein kinases (PKs)
CAS Number
210297-47-5
Product Name Alternative
5-(1-piperazinylsulfonyl)-isoquinoline, dihydrochloride
Sequence
C-1
Field of Research
Tyrosine Kinase Broad Spectrum Protein Kinase Inhibitor
Purity
0.9933
Solubility
insoluble in EtOH; ≥131.8 mg/mL in H2O; ≥19.17 mg/mL in DMSO with ultrasonic
Smiles
O=S(C1=C2C(C=NC=C2)=CC=C1)(N3CCNCC3)=O.Cl.Cl
Molecular Formula
C13H15N3O2S·2HCl
Molecular Weight
350.3
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

5-(Piperazine-1-sulfonyl)isoquinoline dihydrochloride
CAS Number210297-47-5
PubChem CID13135529
IUPAC Name5-piperazin-1-ylsulfonylisoquinoline;dihydrochloride
Molecular FormulaC13H17Cl2N3O2S
Molecular Weight350.3
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity401
SMILES
C1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl
InChI
InChI=1S/C13H15N3O2S.2ClH/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13;;/h1-5,10,14H,6-9H2;2*1H
InChIKey
ZKQAPKKKTQCVKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Piperazine-1-sulfonyl)isoquinoline dihydrochloride
CAS: 210297-47-5
CID: 13135529
Formula: C13H17Cl2N3O2S
MW: 350.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass349.0418534
Monoisotopic Mass349.0418534
Topological Polar Surface Area70.7 Ų
Heavy Atom Count21
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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