Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4558845546-0
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 | 8 USD | N/A | 20 working days | Get Quote |
| 5 mg | 8 USD | N/A | 20 working days | Get Quote |
| 10 mg | 8 USD | N/A | 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.
-
1
MCULE-3818462180-0
- Component type: Main
-
1
MCULE-7728164114-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4558845546-0.sdf |
| SMILES | MCULE-4558845546-0.smiles |
| Standard InChI | MCULE-4558845546-0.inchi |
| InChIKey | MCULE-4558845546-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867566047 | A2B Chem | Predominantly Building Block in stock | 80 | As is | in stock |
| P-875725610 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615705627 | AK Scientific | Building Blocks | N/A | As is | in stock |
| P-597008988 | Angene | Building Blocks in stock | N/A | As is | 150 g |
| P-896054163 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-580377088 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-505516211 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-608082814 | LabSeeker, Inc | Stock Collection | 80 | As is | in stock |
| P-852466797 | Matrix Scientific | All | N/A | As is | in stock |
| P-864073727 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-575294732 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-867560505 | A2B Chem | Predominantly Building Block in stock | N/A | Main component as a main component | in stock |
| P-875720224 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-874600950 | AK Scientific | Building Blocks | N/A | Main component as a main component | in stock |
| P-590381466 | AK Scientific | Building Blocks | 97 | Main component as a main component | in stock |
| P-851604064 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
| P-596982537 | Angene | Building Blocks in stock | 98 | Main component as a main component | 75 g |
| P-895935567 | Apollo Scientific | On request | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-864197162 | AstaTech | In Stock BBs | 95 | Main component as a main component | in stock |
| P-590834243 | BLD pharm | Non-stock building blocks | 98 | Main component as a main component | by synthesis |
| P-868609494 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
| P-580377111 | Debye Scientific | General Catalog | N/A | Main component as a main component | by resynthesis (? - ? days) |
| P-596576302 | Key Organics | Building Blocks | 97 | Main component as a main component | 5 g |
| P-611447359 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| P-615403358 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 305.968 |
| logP | 6.5858 |
| H-bond acceptors | 1 |
| H-bond donors | 0 |
| Rotatable bonds | 14 |
| PSA | 0.0 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 97.9794 |
| Atoms | 60 |
| Rings | 0 |
| Heavy atoms | 20 |
| Hydrogen atoms | 40 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
