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WF-536 Hydrochloride

CAT: 0931-T29156-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T29156-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
539857-64-2
Target
ROCK, Others
Related Pathways
Cytoskeletal Signaling, Stem Cells, Cell Cycle/Checkpoint, Others
Bioactivity
WF-536 Hydrochloride, a novel inhibitor of ROCK, inhibits tumour metastasis in some animal models.
Smiles
C(NC=1C=CN=CC1)(=O)C2=CC=C([C@@H](C)N)C=C2.Cl
Molecular Formula
C14H16ClN3O
Molecular Weight
277.75
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

WF-536 Hydrochloride
CAS Number539857-64-2
PubChem CID9860439
IUPAC Name4-[(1R)-1-aminoethyl]-N-pyridin-4-ylbenzamide;hydrochloride
Molecular FormulaC14H16ClN3O
Molecular Weight277.75
Topological Polar Surface Area68
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity268
SMILES
C[C@H](C1=CC=C(C=C1)C(=O)NC2=CC=NC=C2)N.Cl
InChI
InChI=1S/C14H15N3O.ClH/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13;/h2-10H,15H2,1H3,(H,16,17,18);1H/t10-;/m1./s1
InChIKey
DVCLJVOQDUIPOT-HNCPQSOCSA-N
Chemical Structure
2D Structure
2D structure of WF-536 Hydrochloride
CAS: 539857-64-2
CID: 9860439
Formula: C14H16ClN3O
MW: 277.75
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight277.75
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass277.0981898
Monoisotopic Mass277.0981898
Topological Polar Surface Area68 Ų
Heavy Atom Count19
Formal Charge0
Complexity268
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5778814WF-536 Hydrochloride
HY-19417Wf-516 (hydrochloride)
HY-118837WF-536
HY-117614WF-210
MBS5767856Wf-516
HY-155164WF-3681
HY-113853WF-10129
MBS5813598WF 2421
MBS5801764WF 3681
MBS5776055WF 10129

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