Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥99% 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 | 488189817 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189817 |
| Canonical Smiles | CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC |
| IUPAC Name | ethyl (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylate |
| InChIKey | DDNCQMVWWZOMLN-IRLDBZIGSA-N |
| INCHI | 1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1 |
| Isomeric SMILES | CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC |
| WGK Germany | 3 |
| RTECS | JW4792000 |
| PubChem CID | 443955 |
| Molecular Weight | 350.45 |
| Reaxy-Rn | 900803 |
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 | Apr 22, 2026 | V107535 | |
| Certificate of Analysis | Apr 22, 2026 | V107535 | |
| Certificate of Analysis | Apr 22, 2025 | V107535 | |
| Certificate of Analysis | Apr 22, 2025 | V107535 | |
| Certificate of Analysis | Apr 22, 2025 | V107535 | |
| Certificate of Analysis | Jan 08, 2025 | V107535 | |
| Certificate of Analysis | Oct 23, 2024 | V107535 | |
| Certificate of Analysis | Apr 10, 2024 | V107535 | |
| Certificate of Analysis | Jan 13, 2023 | V107535 | |
| Certificate of Analysis | Jan 13, 2023 | V107535 | |
| Certificate of Analysis | Jan 13, 2023 | V107535 | |
| Certificate of Analysis | Jan 13, 2023 | V107535 | |
| Certificate of Analysis | Jan 13, 2023 | V107535 | |
| Certificate of Analysis | Jan 13, 2023 | V107535 | |
| Certificate of Analysis | Jan 13, 2023 | V107535 | |
| Certificate of Analysis | Jan 13, 2023 | V107535 | |
| Certificate of Analysis | Jan 13, 2023 | V107535 | |
| Certificate of Analysis | Jan 13, 2023 | V107535 | |
| Certificate of Analysis | Jan 09, 2023 | V107535 | |
| Certificate of Analysis | May 31, 2022 | V107535 | |
| Certificate of Analysis | Mar 14, 2022 | V107535 |
| Solubility | DMSO : 6.25 mg/mL |
|---|---|
| Sensitivity | Light sensitive. |
| Specific Rotation[α] | 118° (C=2,Pyridine) |
| Melt Point(°C) | 151 °C |
| Molecular Weight | 350.500 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 350.199 Da |
| Monoisotopic Mass | 350.199 Da |
| Topological Polar Surface Area | 34.500 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 617.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
| 1. Zhang Zuo-yan, Dong Shu-min, Liu Ye-han, Zhang Man-man, Zhang Jian-kang, Zhu Hua-jian, Shao Jia-an, Liu Hua-qing, Li Yang-ling, Zhang Chong, Zeng Ling-hui. (2021) Enhanced anticancer activity by the combination of vinpocetine and sorafenib via PI3K/AKT/GSK-3β signaling axis in hepatocellular carcinoma cells. ANTI-CANCER DRUGS, 32 (7): (727). [PMID:33735117] [10.1097/CAD.0000000000001056] |
| 2. Shengzheng Guo, Yuechao Cao, Yuxin Zhang, Yan Wang, Zhenguo Gao, Junbo Gong. (2024) A Scalable Freeze-Dissolving Approach to Prepare Ultrafine Crystals for Inhalation: Mechanism and Validation. CRYSTAL GROWTH & DESIGN, [PMID:] [10.1021/acs.cgd.4c00018] |
| 3. Chong Zhang, Zuoyan Zhang, Yueyi Wu, Yuchen Wu, Jing Cheng, Kaizhi Luo, Zhidi Li, Manman Zhang, Jian Wang, Xuesen Zhang, Yangling Li. (2025) Phosphodiesterase 1A physically interacts with YTHDF2 and reinforces the progression of non-small cell lung cancer. eLife, [PMID:40704992] [10.7554/eLife.98903] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →