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BA-1049

CAT: 0931-T70024-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70024-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1973494-16-4
Target
ROCK, Others
Related Pathways
Cytoskeletal Signaling, Cell Cycle/Checkpoint, Others, Stem Cells
Bioactivity
BA-1049 is a selective ROCK2 inhibitor.
Smiles
S(=O)(=O)(C=1C2=C(C=CC1)C=NC=C2)N3CCC([C@@H](C)N)CC3
Molecular Formula
C16H21N3O2S
Molecular Weight
319.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1R)-1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)ethanamine
CAS Number1973494-16-4
PubChem CID122428084
IUPAC Name(1R)-1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)ethanamine
Molecular FormulaC16H21N3O2S
Molecular Weight319.4
XLogP1.5
Topological Polar Surface Area84.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity468
SMILES
C[C@H](C1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3)N
InChI
InChI=1S/C16H21N3O2S/c1-12(17)13-6-9-19(10-7-13)22(20,21)16-4-2-3-14-11-18-8-5-15(14)16/h2-5,8,11-13H,6-7,9-10,17H2,1H3/t12-/m1/s1
InChIKey
MGLIYKZFLDTAMW-GFCCVEGCSA-N
Chemical Structure
2D Structure
2D structure of (1R)-1-(1-isoquinolin-5-ylsulfonylpiperidin-4-yl)ethanamine
CAS: 1973494-16-4
CID: 122428084
Formula: C16H21N3O2S
MW: 319.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight319.4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass319.13544809
Monoisotopic Mass319.13544809
Topological Polar Surface Area84.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity468
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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