Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9617648178-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 12 USD | 99 | 20 working days | Get Quote |
| 5 mg | 12 USD | 99 | 20 working days | Get Quote |
| 10 mg | 12 USD | 99 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
-
1
MCULE-7999715986-0
- Component type: Main
-
1
MCULE-1568229930-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9617648178-0.sdf |
| SMILES | MCULE-9617648178-0.smiles |
| Standard InChI | MCULE-9617648178-0.inchi |
| InChIKey | MCULE-9617648178-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851278215 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-867661187 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-875829545 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-588246152 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-489144073 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-895103784 | Angene | Building Blocks in stock | N/A | Main component | 100 mg |
| P-864211782 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-893247370 | Biosynth | Synthesis | 95 | Main component | by synthesis |
| P-851266053 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-868595901 | Combi-Blocks | Building Block in stock | 96 | Main component | in stock |
| P-505509690 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-890852831 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-454411516 | Key Organics | Building Blocks | 95 | Main component | 4.425 g |
| P-454342276 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 4.425 g |
| P-852489183 | Matrix Scientific | All | N/A | Main component | in stock |
| P-901019767 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-865621209 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-584621555 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-608275666 | Molnova | Stock | 98 | Main component | in stock |
| P-650815828 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
| P-26464300 | Otava | In-House Stock Library | 90 | Main component | 190 mg |
| P-500375114 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-617402889 | Selleckchem | Product Catalog | N/A | Main component | in stock |
| P-894000894 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| P-892946417 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-867613658 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-867480644 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-860649434 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-875726992 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875774378 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875804438 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-505392272 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
| P-874631879 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-893410966 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | Main component as a main component | by synthesis |
| P-893618357 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 1000 g |
| P-489191077 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-489193966 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-596985473 | Angene | Building Blocks in stock | 99 | Main component as a main component | 50 g |
| P-619199187 | Angene | Building Blocks in stock | 99 | Main component as a main component | 1000 g |
| P-596932508 | Angene | Building Blocks in stock | 95 | Main component as a main component | 2 g |
| P-896023346 | AstaTech | In Stock BBs | 97 | Main component as a main component | in stock |
| P-864242137 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
| P-860054677 | AvaChem Scientific | On demand | 95 | Main component as a main component | by synthesis |
| P-893258700 | Biosynth | Synthesis | 95 | Main component as a main component | by synthesis |
| P-893233650 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-851286719 | Chemshuttle | On request catalog | 95 | Main component as a main component | by synthesis |
| P-580452212 | CliniSciences S.A.S | All products | 98 | Main component as a main component | in stock |
| P-861434331 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-868613871 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-868628748 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-608497330 | DC Chemicals Limited | Stock Products | 95 | Main component as a main component | in stock |
| P-579478813 | DC Chemicals Limited | Stock Products | 95 | Main component as a main component | in stock |
| P-597054377 | Endotherm | Endotherm General Catalog | 98 | Main component as a main component | in stock |
| P-608220624 | Glentham Life Sciences | Compounds maintained in stock | 98 | Main component as a main component | in stock |
| P-870662083 | Glentham Life Sciences | Compounds typically in stock | 99 | Main component as a main component | in stock |
| P-505542215 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-505496394 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-890851118 | Innovapharm | Screening Compounds | 90 | Main component as a main component | in stock |
| P-492243241 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
| P-890850026 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
| P-524161237 | Key Organics | Building Blocks | 97 | Main component as a main component | 25 g |
| P-596565797 | Key Organics | Building Blocks | 95 | Main component as a main component | 100 mg |
| P-524441853 | Key Organics | Biochemicals | 97 | Main component as a main component | 294.454 g |
| P-524439344 | Key Organics | Biochemicals | 97 | Main component as a main component | 554 mg |
| P-579619624 | LabSeeker, Inc | Stock Collection | 99 | Main component as a main component | in stock |
| P-870137702 | LabSeeker, Inc | Stock Collection | 95 | Main component as a main component | in stock |
| P-579625407 | LabSeeker, Inc | Stock Collection | 98 | Main component as a main component | in stock |
| P-856016533 | LaboTest | Screening Collection | 90 | Main component as a main component | 2 g |
| P-852462406 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-854721237 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
| P-895204515 | MedChemExpress | Screening compounds on demand | 95 | Main component as a main component | by synthesis |
| P-896630109 | MedChemExpress | Screening compounds on demand | 95 | Main component as a main component | by synthesis |
| P-896071969 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
| P-584621557 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
| P-608275966 | Molnova | Stock | 98 | Main component as a main component | in stock |
| P-608278179 | Molnova | Stock | 98 | Main component as a main component | in stock |
| P-881187858 | Otava | In-House Stock Library | 90 | Main component as a main component | 3 g |
| P-881190230 | Otava | In-House Stock Library | 90 | Main component as a main component | 10 g |
| P-885559562 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-579710486 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
| P-617402797 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
| P-892270504 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892270552 | TargetMol | Screening Compounds - synthesis | 95 | Main component as a main component | by synthesis |
| P-892348454 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | unavailable |
| P-892348501 | TargetMol | Screening Compounds - stock amount | 95 | Main component as a main component | unavailable |
| P-502365087 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| P-611555157 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-611418034 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-480997048 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-575308093 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 417.450 |
| logP | -0.1185 |
| H-bond acceptors | 10 |
| H-bond donors | 6 |
| Rotatable bonds | 12 |
| PSA | 165.78 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 103.8067 |
| Atoms | 60 |
| Rings | 1 |
| Heavy atoms | 29 |
| Hydrogen atoms | 31 |
| Heteroatoms | 10 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
