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SAR407899

CAT: 0607-B4910-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B4910-50Size:50 mg
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Description
ATP-competitive ROCK inhibitor
CAS Number
923359-38-0
Product Name Alternative
6-(piperidin-4-yloxy)isoquinolin-1(2H)-one
Field of Research
Cell Cycle Checkpoint ROCK
Purity
0.991
Solubility
≥8.28 mg/mL in DMSO with ultrasonic; ≥4.08 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
O=C(NC=C1)C(C1=C2)=CC=C2OC3CCNCC3
Molecular Formula
C14H16N2O2
Molecular Weight
244.29
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Sar-407899
CAS Number923359-38-0
PubChem CID15604510
IUPAC Name6-piperidin-4-yloxy-2H-isoquinolin-1-one
Molecular FormulaC14H16N2O2
Molecular Weight244.29
XLogP1.4
Topological Polar Surface Area50.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity337
SMILES
C1CNCCC1OC2=CC3=C(C=C2)C(=O)NC=C3
InChI
InChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)
InChIKey
IPEXHQGMTHOKQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sar-407899
CAS: 923359-38-0
CID: 15604510
Formula: C14H16N2O2
MW: 244.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight244.29
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass244.121177757
Monoisotopic Mass244.121177757
Topological Polar Surface Area50.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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