Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8768599229-0
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 | 7 USD | 95 | 22 working days | Get Quote |
| 5 mg | 7 USD | 95 | 22 working days | Get Quote |
| 10 mg | 7 USD | 95 | 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-1986798658-0
- Component type: Main
-
1
MCULE-6124492894-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8768599229-0.sdf |
| SMILES | MCULE-8768599229-0.smiles |
| Standard InChI | MCULE-8768599229-0.inchi |
| InChIKey | MCULE-8768599229-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-33285808 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-889739427 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | Main component | 1000 g |
| P-893262780 | Biosynth | Synthesis | 95 | Main component | by synthesis |
| P-580432615 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-608218955 | Glentham Life Sciences | Compounds typically in stock | N/A | Main component | in stock |
| P-608218956 | Glentham Life Sciences | Compounds typically in stock | 99 | Main component | in stock |
| P-504609466 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
| P-492243395 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-613284901 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-580511561 | Manchester Organics | Stock compounds | 97 | Main component | 400 g |
| P-620069427 | Otava | In-House Stock Library | 90 | Main component | 1000 mg |
| P-620224155 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | Main component | 1000 mg |
| P-885536281 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-892921042 | A2B Chem | Predominantly Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-867541435 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
| P-890050482 | AA Blocks | AA Blocks - synthesis | N/A | Main component as a main component | by synthesis |
| P-875698022 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-891657711 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-851938577 | AmBeed | In stock | N/A | Main component as a main component | in stock |
| P-489108700 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
| P-619200449 | Angene | Building Blocks in stock | 95 | Main component as a main component | 4 kg |
| P-864208317 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-868629424 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
| P-855913275 | Key Organics | Building Blocks | 97 | Main component as a main component | 25 g |
| P-852467458 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-895220540 | MedChemExpress | Building Blocks in stock | 95 | Main component as a main component | in stock |
| P-889867876 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
| P-33246841 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
| P-893849687 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component as a main component | by synthesis |
| P-480446453 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 210.155 |
| logP | 3.0832 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 3.24 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 53.505 |
| Atoms | 30 |
| Rings | 0 |
| Heavy atoms | 10 |
| Hydrogen atoms | 20 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
