Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8911985988
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 | 98 | 8 working days | Get Quote |
| 5 mg | 7 USD | 98 | 8 working days | Get Quote |
| 10 mg | 7 USD | 98 | 8 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-8911985988.sdf |
| SMILES | MCULE-8911985988.smiles |
| Standard InChI | MCULE-8911985988.inchi |
| InChIKey | MCULE-8911985988.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867565768 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875725323 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869193923 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505391178 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-580232248 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-425203923 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-517101557 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606846736 | AmBeed | In stock | N/A | As is | in stock |
| P-489135116 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596946956 | Angene | Building Blocks in stock | 98 | As is | 175 g |
| P-864085080 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580700052 | BLD pharm | In-stock building blocks | 98 | As is | 137 g |
| P-893226388 | Biosynth | In Stock | 95 | As is | in stock |
| P-3286065 | ChemDiv | Discovery Chemistry Library | 90 | As is | 44 mg |
| P-851281103 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-580403704 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-505538436 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-885854251 | J&W Pharmlab | In-stock compounds | 96 | As is | in stock |
| P-524165156 | Key Organics | Building Blocks | 98 | As is | 25 g |
| P-856005975 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-31256686 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-852459081 | Matrix Scientific | All | N/A | As is | in stock |
| P-888899039 | PharmaBlock | In stock | N/A | As is | in stock |
| P-500405267 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-889867893 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502328448 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-33714665 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855049973 | Toronto Research | In stock | 90 | As is | in stock |
| P-590444965 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 336.428 |
| logP | 6.9868 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 24.06 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 110.9654 |
| Atoms | 46 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 20 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
