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.
inhibitors of ATP-utilizing enzyme
| ALogP | 2.336 |
|---|---|
| hba_count | 2 |
| HBD Count | 2 |
| Rotatable Bond | 3 |
| Canonical Smiles | C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCC3)C(=O)N |
|---|---|
| IUPAC Name | 2-(cyclobutanecarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| InChIKey | QRHDGJXWJONJSG-UHFFFAOYSA-N |
| INCHI | 1S/C14H18N2O2S/c15-12(17)11-9-6-1-2-7-10(9)19-14(11)16-13(18)8-4-3-5-8/h8H,1-7H2,(H2,15,17)(H,16,18) |
| Isomeric SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3CCC3)C(=O)N |
| Molecular Weight | 278.37 |
| Reaxy-Rn | 11604194 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11604194&ln= |
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 | Thiophenes |
| Subclass | Thiophene carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thiophene carboxamides |
| Alternative Parents | N-arylamides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Thiophene carboxamide - N-arylamide - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxylic acid derivative - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as thiophene carboxamides. These are compounds containing a thiophene ring which bears a carboxamide. |
| External Descriptors | Not available |
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 278.370 g/mol |
| XLogP3 | 2.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 278.109 Da |
| Monoisotopic Mass | 278.109 Da |
| Topological Polar Surface Area | 100.000 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 384.000 |
| 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 |
![2-(Cyclobutanecarboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide - 10mM in DMSO CAS No(612829-80-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/C/4/C425075.png)