Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4477486481-0
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 | 97 | 8 working days | Get Quote |
| 5 mg | 11 USD | 97 | 8 working days | Get Quote |
| 10 mg | 11 USD | 97 | 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-4477486481-0.sdf |
| SMILES | MCULE-4477486481-0.smiles |
| Standard InChI | MCULE-4477486481-0.inchi |
| InChIKey | MCULE-4477486481-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892953959 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-867595696 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875754515 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-505350753 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-881671478 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610991991 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.32534 kg |
| P-34868603 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606902470 | AmBeed | In stock | N/A | As is | in stock |
| P-489201311 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596958100 | Angene | Building Blocks in stock | 98 | As is | 500 g |
| P-596438388 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-864110296 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580710725 | BLD pharm | In-stock building blocks | 97 | As is | 141.25 g |
| P-874568528 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
| P-851302756 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868554639 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580410002 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862013818 | FluoroChem | General BB | N/A | As is | in stock |
| P-579525754 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 10 mg |
| P-13447328 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-524162530 | Key Organics | Building Blocks | 98 | As is | 5 g |
| P-856005565 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
| P-588253924 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852552194 | Matrix Scientific | All | N/A | As is | in stock |
| P-864649290 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-424806920 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-859990795 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-12896110 | Specs | Screening Compounds | 90 | As is | 118 mg |
| P-596765415 | Synthonix | In-stock Building Blocks | 97 | As is | 578.8 g |
| P-22643609 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502330425 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888436386 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611411936 | Toronto Research | In stock | 90 | As is | in stock |
| P-677780 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 258 mg |
| P-615405467 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 286.367 |
| logP | 2.35 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 6 |
| PSA | 59.08 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 84.344 |
| Atoms | 46 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
