Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥97%(HPLC) Moligand™ 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.
| ALogP | 4.4 |
|---|
| Canonical Smiles | CCSCC1=CC2=C(C=C1)N3C4CC(C(O4)(N5C6=C(C=C(C=C6)CSCC)C7=C8CNC(=O)C8=C2C3=C75)C)(C(=O)OC)O |
|---|---|
| IUPAC Name | methyl (15S,16R,18R)-10,23-bis(ethylsulfanylmethyl)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8(13),9,11,20(25),21,23,26-nonaene-16-carboxylate |
| InChIKey | SCMLRESZJCKCTC-KMYQRJGFSA-N |
| INCHI | 1S/C33H33N3O5S2/c1-5-42-15-17-7-9-22-19(11-17)26-27-21(14-34-30(27)37)25-20-12-18(16-43-6-2)8-10-23(20)36-29(25)28(26)35(22)24-13-33(39,31(38)40-4)32(36,3)41-24/h7-12,24,39H,5-6,13-16H2,1-4H3,(H,34,37)/t24-,32+,33+/m1/s1 |
| Isomeric SMILES | CCSCC1=CC2=C(C=C1)N3[C@H]4C[C@@]([C@](O4)(N5C6=C(C=C(C=C6)CSCC)C7=C8CNC(=O)C8=C2C3=C75)C)(C(=O)OC)O |
| Alternate CAS | 156177-65-0 |
| MeSH Entry Terms | 3,9-bis((ethylthio)methyl)-K-252a;3,9-bis(EtSM)-K-252a;CEP 1347;CEP-1347;CEP1347;KT 7515;KT-7515;KT7515 |
| Molecular Weight | 615.76 |
| Reaxy-Rn | 24941073 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24941073&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 | Indoles and derivatives |
| Subclass | Carbazoles |
| Intermediate Tree Nodes | Pyrrolocarbazoles |
| Direct Parent | Indolocarbazoles |
| Alternative Parents | Pyrrolo[2,3-a]carbazoles Pyrroloindoles Isoindolones Indoles Benzenoids Tertiary alcohols Pyrroles Oxolanes Heteroaromatic compounds Methyl esters Secondary carboxylic acid amides Lactams Azacyclic compounds Sulfenyl compounds Dialkylthioethers Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organonitrogen compounds Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Indolocarbazole - Pyrrolo[2,3-a]carbazole - Pyrroloindole - Isoindolone - Indole - Isoindoline - Isoindole or derivatives - Benzenoid - Heteroaromatic compound - Oxolane - Pyrrole - Tertiary alcohol - Methyl ester - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid ester - Oxacycle - Dialkylthioether - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole. |
| External Descriptors | Not available |
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| Solubility | Solvent:DMSO, Max Conc. mg/mL: 6.16, Max Conc. mM: 10 |
|---|---|
| Molecular Weight | 615.800 g/mol |
| XLogP3 | 4.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 615.186 Da |
| Monoisotopic Mass | 615.186 Da |
| Topological Polar Surface Area | 145.000 Ų |
| Heavy Atom Count | 43 |
| Formal Charge | 0 |
| Complexity | 1150.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| 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 |
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