Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8026111213
Compound
Show structure
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 | 7 USD | N/A | 9 working days | Get Quote |
| 5 mg | 7 USD | N/A | 9 working days | Get Quote |
| 10 mg | 7 USD | N/A | 9 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-5180241289
- Component type: Main
-
1
MCULE-6475627950
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8026111213.sdf |
| SMILES | MCULE-8026111213.smiles |
| Standard InChI | MCULE-8026111213.inchi |
| InChIKey | MCULE-8026111213.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-535626146 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505392728 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580232940 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-851443889 | AmBeed | On request | N/A | As is | by synthesis |
| P-489106742 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-872723568 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864152052 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893231042 | Biosynth | In Stock | 95 | As is | in stock |
| P-893239799 | Biosynth | In Stock | 95 | As is | in stock |
| P-851270642 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868576822 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-889111881 | FluoroChem | In Stock BB | 97 | As is | 3.2293 kg |
| P-870662748 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
| P-505509790 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524165757 | Key Organics | Building Blocks | 98 | As is | 100 g |
| P-608081410 | LabSeeker, Inc | Stock Collection | 99 | As is | in stock |
| P-580479312 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852462693 | Matrix Scientific | All | N/A | As is | in stock |
| P-888862438 | PharmaBlock | In stock | N/A | As is | in stock |
| P-885535137 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-615392520 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-852174227 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-875828326 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-881672473 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-580232960 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component as a main component | by synthesis |
| P-489136235 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-596971991 | Angene | Building Blocks in stock | 98 | Main component as a main component | 1000 g |
| P-872723550 | Apexbio Technology | Bioactive Compound Library | 98 | Main component as a main component | in stock |
| P-893239817 | Biosynth | In Stock | 95 | Main component as a main component | in stock |
| P-893261731 | Biosynth | Synthesis | 95 | Main component as a main component | by synthesis |
| P-868600313 | Combi-Blocks | Building Block in stock | 98 | Main component as a main component | in stock |
| P-500419554 | Glentham Life Sciences | Compounds typically in stock | 98 | Main component as a main component | in stock |
| P-524167490 | Key Organics | Building Blocks | 98 | Main component as a main component | 100 g |
| P-608081414 | LabSeeker, Inc | Stock Collection | 95 | Main component as a main component | in stock |
| P-854747009 | MedChemExpress | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-885552211 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-611491330 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 413.686 |
| logP | 5.0091 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 67.85 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 84.034 |
| Atoms | 40 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 15 |
| Heteroatoms | 14 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 7 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
