Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3518980747
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 | 94 USD | 98 | 20 working days | Get Quote |
| 5 mg | 104 USD | 98 | 11 working days | Get Quote |
| 10 mg | 104 USD | 98 | 11 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-3518980747.sdf |
| SMILES | MCULE-3518980747.smiles |
| Standard InChI | MCULE-3518980747.inchi |
| InChIKey | MCULE-3518980747.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867645224 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875812015 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-867715708 | AmBeed | In stock | N/A | As is | in stock |
| P-865923241 | Angene | Building Blocks in stock | 98 | As is | 200 mg |
| P-889592949 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-860055643 | AvaChem Scientific | All products | 98 | As is | by synthesis |
| P-873437309 | BLD pharm | In-stock building blocks | 98 | As is | 9 mg |
| P-452657096 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-887203400 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-675219337 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-873243125 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-854690636 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-619673474 | Molnova | Stock | 98 | As is | in stock |
| P-889883858 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-869177737 | TargetMol | Natural Products | 95 | As is | 592 mg |
| P-868520826 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 284.262 |
| logP | 2.8798 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 79.9 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 78.458 |
| Atoms | 33 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 12 |
| 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 |
