Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8414071047-0
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 | 5 USD | 98 | 22 working days | Get Quote |
| 5 mg | 7 USD | 98 | 22 working days | Get Quote |
| 10 mg | 9 USD | 98 | 22 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-4542695850-0
- Component type: Main
-
1
MCULE-4223142955-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8414071047-0.sdf |
| SMILES | MCULE-8414071047-0.smiles |
| Standard InChI | MCULE-8414071047-0.inchi |
| InChIKey | MCULE-8414071047-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-579711811 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-666966831 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-867585803 | A2B Chem | Predominantly Building Block in stock | 98 | Main component | in stock |
| P-875744010 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-590379036 | AK Scientific | Building Blocks | 98 | Main component | in stock |
| P-893576270 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 41.665 g |
| P-606882611 | AmBeed | In stock | N/A | Main component | in stock |
| P-489186947 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-596954137 | Angene | Building Blocks in stock | 98 | Main component | 20 g |
| P-872724992 | Apexbio Technology | Bioactive Compound Library | 98 | Main component | in stock |
| P-864170370 | AstaTech | In Stock BBs | 98 | Main component | in stock |
| P-900155511 | AvaChem Scientific | In stock | 95 | Main component | in stock |
| P-893223452 | Biosynth | In Stock | 95 | Main component | in stock |
| P-851265372 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-860798966 | Chiralstar | Chiralstar Building Blocks | 98 | Main component | in stock |
| P-580451212 | CliniSciences S.A.S | All products | 98 | Main component | in stock |
| P-868603672 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-870652235 | Glentham Life Sciences | Compounds typically in stock | 98 | Main component | in stock |
| P-505512209 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-454395107 | Key Organics | Building Blocks | 97 | Main component | 1000 mg |
| P-852463058 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854719656 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-896628399 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-584616314 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-878646994 | Molnova | Stock | 98 | Main component | in stock |
| P-888888188 | PharmaBlock | In stock | N/A | Main component | in stock |
| P-500406166 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-885543466 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-617405017 | Selleckchem | Product Catalog | N/A | Main component | in stock |
| P-869125159 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-892290624 | TargetMol | In Stock BB | 95 | Main component | unavailable |
| P-888638803 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 125 mg |
| P-502385921 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-596714838 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 25 mg |
| P-611385183 | Toronto Research | In stock | 90 | Main component | in stock |
| P-852190443 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-890160519 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-893617707 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 50.5 g |
| P-489188734 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-872724507 | Apexbio Technology | Bioactive Compound Library | 98 | Main component as a main component | in stock |
| P-890230531 | BLD pharm | Non-stock building blocks | 98 | Main component as a main component | by synthesis |
| P-590967911 | BLD pharm | Non-stock building blocks | 98 | Main component as a main component | by synthesis |
| P-580717989 | BLD pharm | In-stock building blocks | 98 | Main component as a main component | 36.6 g |
| P-505577219 | Bosche Scientific | Bosche Products | 98 | Main component as a main component | in stock |
| P-861412262 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-868582585 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-868660992 | DC Chemicals Limited | Stock Products | 95 | Main component as a main component | in stock |
| P-505512210 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-608097818 | LabSeeker, Inc | Stock Collection | 98 | Main component as a main component | in stock |
| P-854717458 | MedChemExpress | Screening compounds In stock | 95 | Main component as a main component | in stock |
| P-896629562 | MedChemExpress | Screening compounds on demand | 95 | Main component as a main component | by synthesis |
| P-474021783 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
| P-608276712 | Molnova | Stock | 98 | Main component as a main component | in stock |
| P-500405426 | Pi Chemicals | Virtual Compounds | 98 | Main component as a main component | by synthesis |
| P-889877102 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 442.221 |
| logP | -0.5218 |
| H-bond acceptors | 11 |
| H-bond donors | 6 |
| Rotatable bonds | 5 |
| PSA | 177.26 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 104.9806 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 16 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
