Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8452936617-0
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 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-8452936617-0.sdf |
| SMILES | MCULE-8452936617-0.smiles |
| Standard InChI | MCULE-8452936617-0.inchi |
| InChIKey | MCULE-8452936617-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867555407 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875714758 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-881661529 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-588247013 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-489109961 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596987024 | Angene | Building Blocks in stock | 98 | As is | 2 kg |
| P-895923365 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864150358 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-617431512 | BLD pharm | In-stock building blocks | 97 | As is | 230 g |
| P-868608224 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580271506 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862033027 | FluoroChem | General BB | 95 | As is | in stock |
| P-492234929 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502716165 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-596569934 | Key Organics | Building Blocks | 97 | As is | 25 g |
| P-870640200 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-863688125 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-885516469 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23325518 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-873234467 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-615408681 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 227.325 |
| logP | 3.5451 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 54.55 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.7247 |
| Atoms | 32 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
