Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8602802137-0
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 | 45 USD | 90 | 30 working days | Get Quote |
| 5 mg | 68 USD | 90 | 30 working days | Get Quote |
| 10 mg | 80 USD | 90 | 30 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-4806479618-0
- Component type: Main
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8602802137-0.sdf |
| SMILES | MCULE-8602802137-0.smiles |
| Standard InChI | MCULE-8602802137-0.inchi |
| InChIKey | MCULE-8602802137-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886685126 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889986680 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869343285 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851864073 | AmBeed | On request | N/A | As is | by synthesis |
| P-889806511 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-611093824 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-895509859 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-611546443 | Toronto Research | In stock | 90 | As is | in stock |
| P-893844891 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-867663192 | A2B Chem | Predominantly Building Block in stock | N/A | Main component | in stock |
| P-875831881 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869239533 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851881608 | AmBeed | On request | N/A | Main component | by synthesis |
| P-596516748 | Asinex | General bb catalog | 90 | Main component | unavailable |
| P-864218034 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-591150457 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-861493624 | Combi-Blocks | Building Block on demand | 99 | Main component | by synthesis |
| P-861947994 | FluoroChem | General BB | 95 | Main component | in stock |
| P-890209840 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | Main component | in stock |
| P-579516024 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | Main component | 1000 mg |
| P-862264375 | KISHIDA CHEMICAL | K-BB | 95 | Main component | 6 g |
| P-524173868 | Key Organics | Building Blocks | 95 | Main component | unavailable |
| P-613277292 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-854923212 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-855248783 | Toronto Research | In stock | 90 | Main component | in stock |
| P-893842510 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| P-612939553 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
| P-580264723 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component as a main component | by synthesis |
| P-851651789 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-892495440 | Asinex | General screening catalog | 90 | Main component as a main component | 1000 mg |
| P-889449301 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
| P-590881244 | BLD pharm | Non-stock building blocks | 95 | Main component as a main component | by synthesis |
| P-596573254 | Key Organics | Building Blocks | 95 | Main component as a main component | 100 mg |
| P-615648061 | LabNetwork | In stock | 95 | Main component as a main component | in stock |
| P-852384406 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-864024897 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
| P-873214705 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 288.180 |
| logP | 3.1122 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 40.54 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 70.1498 |
| Atoms | 34 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| 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 |
