Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5274443926
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 | 10 USD | N/A | 14 working days | Get Quote |
| 5 mg | 28 USD | N/A | 14 working days | Get Quote |
| 10 mg | 46 USD | N/A | 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-5274443926.sdf |
| SMILES | MCULE-5274443926.smiles |
| Standard InChI | MCULE-5274443926.inchi |
| InChIKey | MCULE-5274443926.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867612322 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875773071 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-851941133 | AmBeed | In stock | N/A | As is | in stock |
| P-489122272 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-489234746 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-888816707 | Angene | Building Blocks in stock | 98 | As is | 1.899 g |
| P-889587368 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-613860455 | BLD pharm | In-stock building blocks | 98 | As is | 1.838 g |
| P-851265405 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-860798638 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-861379982 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579478887 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-580373822 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-868078580 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-873244499 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-854714618 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-871070330 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888169129 | Molnova | On demand | 98 | As is | by synthesis |
| P-855298176 | Toronto Research | In stock | 90 | As is | in stock |
| P-580079965 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 344.876 |
| logP | 4.7508 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 25.24 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 105.331 |
| Atoms | 49 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 25 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
