Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7004485921-0
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 | 26 USD | 98 | 11 working days | Get Quote |
| 5 mg | 26 USD | 98 | 11 working days | Get Quote |
| 10 mg | 26 USD | 98 | 11 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-9571954631-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7004485921-0.sdf |
| SMILES | MCULE-7004485921-0.smiles |
| Standard InChI | MCULE-7004485921-0.inchi |
| InChIKey | MCULE-7004485921-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-505573390 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-578050589 | Chemfaces | Natural Compounds | 98 | As is | in stock |
| P-851253322 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868581771 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-579478633 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-852525151 | Matrix Scientific | All | N/A | As is | in stock |
| P-854691143 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-872675081 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608269539 | Molnova | Stock | 98 | As is | in stock |
| P-610959511 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 12 g |
| P-489187127 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-500413389 | AvaChem Scientific | All products | 95 | Main component | by synthesis |
| P-851247357 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-852522446 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854714273 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-474024201 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-608278169 | Molnova | Stock | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 623.136 |
| logP | 4.7689 |
| H-bond acceptors | 10 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 114.2 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 176.5978 |
| Atoms | 83 |
| Rings | 7 |
| Heavy atoms | 44 |
| Hydrogen atoms | 39 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
