Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9614216780-0
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 | 19 USD | 90 | 21 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 66 USD | 90 | 19 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.
-
MCULE-8363818185-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9614216780-0.sdf |
| SMILES | MCULE-9614216780-0.smiles |
| Standard InChI | MCULE-9614216780-0.inchi |
| InChIKey | MCULE-9614216780-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860650753 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-894656784 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-489172586 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-890224270 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-861475530 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34745945 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-889381577 | FluoroChem | General BB | N/A | As is | in stock |
| P-579523716 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 3.4 g |
| P-890212508 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-492238901 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502675190 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12936497 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-596577118 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
| P-13675633 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-18953541 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491202000 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22773363 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-873236194 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-541297 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 142 mg |
| P-886123697 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
| P-25762522 | Life Chemicals | Screening Compounds | 90 | As a main component | 68 mg |
| P-621457821 | Otava | Tangible screening compounds | 90 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 348.401 |
| logP | 3.4064 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 5 |
| PSA | 75.2 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 104.6414 |
| Atoms | 46 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 20 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| 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 |
