10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
ZINC00881524 (ROCK inhibitor) ZINC00881524 is a ROCK inhibitor.
| Canonical Smiles | COC1=C(C=C(C=C1)CC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43)OC |
|---|---|
| IUPAC Name | N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide |
| InChIKey | DQNMDJGZWFZNHS-UHFFFAOYSA-N |
| 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) |
| Isomeric SMILES | COC1=C(C=C(C=C1)CC(=O)NC2=NC3=C(S2)CCC4=CC=CC=C43)OC |
| PubChem CID | 1138914 |
| Molecular Weight | 380.46 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Naphthothiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Naphthothiazoles |
| Alternative Parents | Phenylacetamides Naphthalenes Dimethoxybenzenes Phenoxy compounds N-arylamides Anisoles Alkyl aryl ethers Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Naphthothiazole - Phenylacetamide - Dimethoxybenzene - O-dimethoxybenzene - Naphthalene - Phenol ether - N-arylamide - Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Thiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthothiazoles. These are polycyclic aromatic compounds containing a thiazole fused to a naphthalene. Thiazole is a 5-membered aromatic ring containing three carbon, one oxygen, and one nitrogen atom. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. |
| External Descriptors | Not available |
| Molecular Weight | 380.500 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 380.119 Da |
| Monoisotopic Mass | 380.119 Da |
| Topological Polar Surface Area | 88.700 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 520.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
