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SR-3677

CAT: 0931-TQ0187-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-TQ0187-02Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1072959-67-1
Target
ROCK, Autophagy
Related Pathways
Cell Cycle/Checkpoint, Cytoskeletal Signaling, Stem Cells, Autophagy
Purity
0.9991
Bioactivity
SR-3677 is an effective and specific inhibitor of ROCK2 (IC50: 3 nM) .
Smiles
CN(C)CCOc1cc(ccc1NC(=O)C1COc2ccccc2O1)-c1cn[nH]c1
Molecular Formula
C22H24N4O4
Molecular Weight
408.45
Shipping Conditions
Ice Packs
Storage Temperature
-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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