Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8609977550-0
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 | 11 USD | 98 | 22 working days | Get Quote |
| 5 mg | 22 USD | 98 | 22 working days | Get Quote |
| 10 mg | 32 USD | 98 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-8609977550-0.sdf |
| SMILES | MCULE-8609977550-0.smiles |
| Standard InChI | MCULE-8609977550-0.inchi |
| InChIKey | MCULE-8609977550-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867625749 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-590360698 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-610959444 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 7.545 g |
| P-606888175 | AmBeed | In stock | N/A | As is | in stock |
| P-596965393 | Angene | Building Blocks in stock | 98 | As is | 1000 mg |
| P-895936291 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-596283900 | Asinex | General screening catalog | 90 | As is | 52 mg |
| P-864173687 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-896540462 | Axon Medchem | Axon predominantly SC catalog | 98 | As is | in stock |
| P-4225462 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
| P-3385581 | ChemDiv | Discovery Chemistry Library | 90 | As is | 37 mg |
| P-860798612 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-675215671 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-492235178 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502802201 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-563715728 | Key Organics | Building Blocks | 95 | As is | 500 mg |
| P-856035355 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
| P-525220434 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-13095522 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-888844743 | PharmaBlock | On demand | N/A | As is | by synthesis |
| P-19035599 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491298301 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579711362 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-869145172 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892293058 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888648373 | TargetMol | Screening Compounds - stock amount | 95 | As is | 150 mg |
| P-873234537 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22517612 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 10 mg |
| P-611462799 | Toronto Research | In stock | 90 | As is | in stock |
| P-25732814 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 479.807 |
| logP | 5.9019 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 98.14 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 127.9091 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 30 |
| Hydrogen atoms | 17 |
| Heteroatoms | 9 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
