Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2846675937
Compound
Show structure
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 | 5 USD | 98 | 9 working days | Get Quote |
| 5 mg | 5 USD | 98 | 9 working days | Get Quote |
| 10 mg | 5 USD | 98 | 9 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-4947503526
- Component type: Main
-
5
MCULE-5726619687
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2846675937.sdf |
| SMILES | MCULE-2846675937.smiles |
| Standard InChI | MCULE-2846675937.inchi |
| InChIKey | MCULE-2846675937.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-597017679 | AEchem | Building blocks | 95 | Main component | in stock |
| P-866724912 | Apollo Scientific | In Stock | 95 | Main component | in stock |
| P-866725114 | Apollo Scientific | In Stock | 95 | Main component | in stock |
| P-580733661 | BLD pharm | In-stock building blocks | 98 | Main component | 4.055 kg |
| P-578050538 | Chemfaces | Natural Compounds | 98 | Main component | in stock |
| P-870582673 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-887080714 | Combi-Blocks | Building Block in stock | 98 | Main component | in stock |
| P-579477715 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
| P-862013762 | FluoroChem | General BB | N/A | Main component | in stock |
| P-608112552 | LabSeeker, Inc | Stock Collection | 95 | Main component | in stock |
| P-852459721 | Matrix Scientific | All | N/A | Main component | in stock |
| P-584619503 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-619672007 | Molnova | Stock | 98 | Main component | in stock |
| P-579710950 | Selleckchem | Product Catalog | N/A | Main component | in stock |
| Property | Value |
|---|---|
| Components | 6 |
| Mass | 773.217 |
| logP | -6.7485 |
| H-bond acceptors | 30 |
| H-bond donors | 20 |
| Rotatable bonds | 2 |
| PSA | 597.36 |
| RO5 violations | 3 |
| RO3 violations | 4 |
| Refractivity | 136.814 |
| Atoms | 73 |
| Rings | 3 |
| Heavy atoms | 45 |
| Hydrogen atoms | 28 |
| Heteroatoms | 35 |
| N/O atoms | 30 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 4 |
| 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 |
