Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4511683126
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-4511683126.sdf |
| SMILES | MCULE-4511683126.smiles |
| Standard InChI | MCULE-4511683126.inchi |
| InChIKey | MCULE-4511683126.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867660200 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875828919 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590394408 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606920332 | AmBeed | In stock | N/A | As is | in stock |
| P-489235859 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-489144469 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596972173 | Angene | Building Blocks in stock | 98 | As is | 454 g |
| P-864090291 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-584628093 | BLD pharm | In-stock building blocks | 98 | As is | 1000 mg |
| P-505575464 | Bosche Scientific | Bosche Products | 97 | As is | in stock |
| P-851286981 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868577924 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580429123 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861927743 | FluoroChem | General BB | N/A | As is | in stock |
| P-505525602 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454332862 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-563553930 | Key Organics | Building Blocks | 97 | As is | 250 mg |
| P-579674435 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-608084892 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-608086960 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-852484089 | Matrix Scientific | All | N/A | As is | in stock |
| P-868742010 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-500390406 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-519956726 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889867316 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-873225101 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611413766 | Toronto Research | In stock | 90 | As is | in stock |
| P-3127375 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 20 mg |
| P-886938816 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.288 |
| logP | 1.8995 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 72.63 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 64.3074 |
| Atoms | 36 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 20 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
