≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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.
Shipped at room temperature. Store at -20°C.
| Pubchem Sid | 504768502 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504768502 |
| Sonrisas canónicas | CCC1=CC=CC=C1NC(=O)CSC(=O)NNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C |
| IUPAC Name | tert-butyl N-[(2S)-1-[2-[2-(2-ethylanilino)-2-oxoethyl]sulfanylcarbonylhydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate |
| InChIKey | OTIWAYTTYNFEKL-QFIPXVFZSA-N |
| INCHI | 1S/C27H33N5O5S/c1-5-17-10-6-8-12-20(17)29-23(33)16-38-26(36)32-31-24(34)22(30-25(35)37-27(2,3)4)14-18-15-28-21-13-9-7-11-19(18)21/h6-13,15,22,28H,5,14,16H2,1-4H3,(H,29,33)(H,30,35)(H,31,34)(H,32,36)/t22-/m0/s1 |
| Isómeros SMILES | CCC1=CC=CC=C1NC(=O)CSC(=O)NNC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C |
| PubChem CID | 16725315 |
| Peso molecular | 539.65 |
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 |
| Clase | Indoles and derivatives |
| Subclass | Tryptamines and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tryptamines and derivatives |
| Alternative Parents | Alpha amino acids and derivatives 3-alkylindoles Anilides N-arylamides Substituted pyrroles Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Carboxylic acid hydrazides Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Triptan - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Anilide - N-arylamide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Carbamic acid ester - Heteroaromatic compound - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid hydrazide - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 B23271008 | Certificate of Analysis | Sep 19, 2024 | S275500 |
| B23271019 | Certificate of Analysis | Sep 19, 2024 | S275500 |
| B2327906 | Certificate of Analysis | Sep 19, 2024 | S275500 |
| B2327967 | Certificate of Analysis | Sep 19, 2024 | S275500 |
| Solubilidad | Soluble in DMSO to 50 mM and in ethanol to 10 mM |
|---|---|
| Peso molecular | 539.600 g/mol |
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 11 |
| Exact Mass | 539.22 Da |
| Monoisotopic Mass | 539.22 Da |
| Topological Polar Surface Area | 167.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 835.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
