Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4227490081
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 35 USD | 95 | 8 working days | Get Quote |
| 10 mg | 41 USD | 95 | 14 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-4227490081.sdf |
| SMILES | MCULE-4227490081.smiles |
| Standard InChI | MCULE-4227490081.inchi |
| InChIKey | MCULE-4227490081.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886601132 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890155064 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-613851416 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-20021250 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436445983 | Alinda | Building Blocks | 95 | As is | 5 g |
| P-851661694 | AmBeed | On request | N/A | As is | by synthesis |
| P-489160435 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-866719794 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-869694871 | Asinex | General screening catalog | 90 | As is | 364 mg |
| P-864219887 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-889743304 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 900 mg |
| P-590990689 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-4758855 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-454691211 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-887107843 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-34821717 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580430125 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861962048 | FluoroChem | General BB | 95 | As is | in stock |
| P-492216916 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502455479 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454379437 | Key Organics | Building Blocks | 95 | As is | 92.669 g |
| P-18720199 | Key Organics | Screening Compounds and Fragments | 95 | As is | 92.669 g |
| P-601072173 | Life Chemicals | Screening Compounds | 90 | As is | 609 mg |
| P-14055498 | Life Chemicals | Building Blocks | 95 | As is | 609 mg |
| P-852396415 | Matrix Scientific | All | N/A | As is | in stock |
| P-35247850 | Maybridge | Screening Collection | 95 | As is | 1.133 kg |
| P-895263744 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-23894922 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885524751 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-12505860 | Specs | Screening Compounds | 90 | As is | 11 mg |
| P-502333318 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22816503 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611486891 | Toronto Research | In stock | 90 | As is | in stock |
| P-25618820 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.313 g |
| P-3231094 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.313 g |
| P-893788173 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 220.177 |
| logP | 1.4998 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 76.74 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.9353 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
