Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Moligand™, ≥98% 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.
| Pubchem Sid | 504770882 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770882 |
| Canonical Smiles | CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3=C(N=NS3)C4=CC=CC=C4)NC |
| IUPAC Name | (2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide |
| InChIKey | WZRFLSDVFPIXOV-LRQRDZAKSA-N |
| INCHI | 1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1 |
| Isomeric SMILES | C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C(=O)NC3=C(N=NS3)C4=CC=CC=C4)NC |
| Molecular Weight | 498.64 |
| Reaxy-Rn | 23701182 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23701182&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.
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 10, 2025 | G129293 | |
| Certificate of Analysis | Jun 10, 2025 | G129293 | |
| Certificate of Analysis | Jun 10, 2025 | G129293 | |
| Certificate of Analysis | Jun 10, 2025 | G129293 | |
| Certificate of Analysis | Jun 10, 2025 | G129293 | |
| Certificate of Analysis | Jun 10, 2025 | G129293 | |
| Certificate of Analysis | Jun 10, 2025 | G129293 | |
| Certificate of Analysis | Jun 10, 2025 | G129293 | |
| Certificate of Analysis | Jun 10, 2025 | G129293 | |
| Certificate of Analysis | Jun 10, 2025 | G129293 | |
| Certificate of Analysis | Aug 12, 2023 | G129293 |
| Solubility | DMSO 99 mg/mL Water 3 mg/mL Ethanol 99 mg/mL |
|---|---|
| Melt Point(°C) | 175-177ºC |
| Molecular Weight | 498.600 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 8 |
| Exact Mass | 498.241 Da |
| Monoisotopic Mass | 498.241 Da |
| Topological Polar Surface Area | 145.000 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 743.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →