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SR-3677

CAT: 0607-B1294-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B1294-10Size:10 mg
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Description
Rho Kinase (ROCK-II) inhibitor
CAS Number
1072959-67-1
Product Name Alternative
N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Field of Research
Cell Cycle Checkpoint ROCK TGF-β Smad Signaling ROCK
Purity
0.98
Form
A crystalline solid
Solubility
Soluble in DMSO
Smiles
CN(C)CCOC1=C(C=CC(=C1)C2=CNN=C2)NC(=O)C3COC4=CC=CC=C4O3
Molecular Formula
C22H24N4O4
Molecular Weight
408.45
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CAS Number1072959-67-1
PubChem CID25093235
IUPAC NameN-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Molecular FormulaC22H24N4O4
Molecular Weight408.4
XLogP2.5
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count30
Formal Charge0
Complexity563
SMILES
CN(C)CCOC1=C(C=CC(=C1)C2=CNN=C2)NC(=O)C3COC4=CC=CC=C4O3
InChI
InChI=1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27)
InChIKey
OQWZIAVXCYIZNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-(2-(dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxamide
CAS: 1072959-67-1
CID: 25093235
Formula: C22H24N4O4
MW: 408.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight408.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass408.17975526
Monoisotopic Mass408.17975526
Topological Polar Surface Area88.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity563
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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