Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4820651488-0
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 62 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.
-
1
MCULE-9396647959-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4820651488-0.sdf |
| SMILES | MCULE-4820651488-0.smiles |
| Standard InChI | MCULE-4820651488-0.inchi |
| InChIKey | MCULE-4820651488-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886817092 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890093591 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-889806797 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-424409354 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-893810865 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| P-867428748 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-894656002 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851637044 | AmBeed | On request | N/A | Main component | by synthesis |
| P-889828950 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-591002291 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-492226698 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-852382676 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854884752 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-12414521 | Otava | In-House Stock Library | 90 | Main component | 1000 mg |
| P-666747544 | Specs | Screening Compounds | 90 | Main component | 26 mg |
| P-502331457 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611596665 | Toronto Research | In stock | 90 | Main component | in stock |
| P-892496408 | Asinex | General screening catalog | 90 | Main component as a main component | 1000 mg |
| P-852402030 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-675080736 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component as a main component | in stock |
| P-617737032 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 76 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 241.687 |
| logP | 3.9014 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 25.17 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.6927 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
