Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8091133356-0
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 | 33 USD | 90 | 23 working days | Get Quote |
| 5 mg | 54 USD | 90 | 23 working days | Get Quote |
| 10 mg | 68 USD | 90 | 23 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-6572985142-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8091133356-0.sdf |
| SMILES | MCULE-8091133356-0.smiles |
| Standard InChI | MCULE-8091133356-0.inchi |
| InChIKey | MCULE-8091133356-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867613889 | A2B Chem | Predominantly Building Block in stock | N/A | Main component | in stock |
| P-875774146 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-590374997 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-893455548 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 4.661 g |
| P-851432177 | AmBeed | On request | N/A | Main component | by synthesis |
| P-596464502 | Asinex | General screening catalog | 90 | Main component | 118 mg |
| P-889799418 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-590763175 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-666898521 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 5 mg |
| P-516895238 | Eximed | In-stock screening compounds | 90 | Main component | 3.22 g |
| P-516919861 | Eximed | Building Block Catalog | 95 | Main component | 3.22 g |
| P-861965039 | FluoroChem | General BB | N/A | Main component | in stock |
| P-502510832 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-502983270 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-580005380 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-454343764 | Key Organics | Screening Compounds and Fragments | 90 | Main component | 177 mg |
| P-601069111 | Life Chemicals | Screening Compounds | 90 | Main component | in stock |
| P-14055810 | Life Chemicals | Building Blocks | 95 | Main component | in stock |
| P-852388465 | Matrix Scientific | All | N/A | Main component | in stock |
| P-895443171 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-620219532 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 5.32 g |
| P-26397617 | Otava | In-House Stock Library | 90 | Main component | 5.32 g |
| P-856065829 | Princeton Biomolecular Research | Building Block Stock | 95 | Main component | 5.32 g |
| P-19820764 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-502348865 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-873212426 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-873064079 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-23109052 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-611398814 | Toronto Research | In stock | 90 | Main component | in stock |
| P-893835287 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 332.325 |
| logP | 2.3604 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 91.56 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 88.9263 |
| Atoms | 41 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 17 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
