Products for Research Use Only
RegisterLogin

ZINC00881524

CAT: 0931-T4095-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T4095-01Size:1 mL - 10 mM (in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
557782-81-7
Target
ROCK
Related Pathways
Cell Cycle/Checkpoint, Cytoskeletal Signaling, Stem Cells
Purity
0.998
Bioactivity
ZINC00881524 (ROCK inhibitor) is an effective and specific ROCK inhibitor.
Smiles
COc1ccc(CC(=O)Nc2nc-3c(CCc4ccccc-34)s2)cc1OC
Molecular Formula
C21H20N2O3S
Molecular Weight
380.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4,5-dihydronaphtho[1,2-d]thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CAS Number557782-81-7
PubChem CID1138914
IUPAC NameN-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
Molecular FormulaC21H20N2O3S
Molecular Weight380.5
XLogP4
Topological Polar Surface Area88.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity520
SMILES
COC1=C(C=C(C=C1)CC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43)OC
InChI
InChI=1S/C21H20N2O3S/c1-25-16-9-7-13(11-17(16)26-2)12-19(24)22-21-23-20-15-6-4-3-5-14(15)8-10-18(20)27-21/h3-7,9,11H,8,10,12H2,1-2H3,(H,22,23,24)
InChIKey
DQNMDJGZWFZNHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4,5-dihydronaphtho[1,2-d]thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CAS: 557782-81-7
CID: 1138914
Formula: C21H20N2O3S
MW: 380.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass380.11946368
Monoisotopic Mass380.11946368
Topological Polar Surface Area88.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity520
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

Alternative Products

CatalogName
B1840-25ZINC00881524
A20477-5ZINC00881524 5mg
A20477-500ZINC00881524 500mg
A20477-10ZINC00881524 10mg
A20477-100ZINC00881524 100mg
A20477-50ZINC00881524 50mg
A20477-25ZINC00881524 25mg
S8448-25mgZINC00881524 (ROCK inhibitor)

Popular Products