Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8308345508-0
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 | 35 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 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.
-
1
MCULE-6087355100-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8308345508-0.sdf |
| SMILES | MCULE-8308345508-0.smiles |
| Standard InChI | MCULE-8308345508-0.inchi |
| InChIKey | MCULE-8308345508-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-887315234 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-895696291 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-615725353 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-34851370 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
| P-489228305 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-580291621 | Debye Scientific | General Catalog | N/A | Main component | by resynthesis (? - ? days) |
| P-563384404 | Key Organics | Building Blocks | 95 | Main component | 1000 mg |
| P-872737525 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
| P-852406238 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854952886 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-873219596 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-23193924 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-886958711 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 279.203 |
| logP | 3.8649 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 33.29 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 80.0004 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 20 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
