Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4291299712
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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 25 USD | 98 | 16 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-5776583228
- Component type: Main
-
1
MCULE-1113222985
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4291299712.sdf |
| SMILES | MCULE-4291299712.smiles |
| Standard InChI | MCULE-4291299712.inchi |
| InChIKey | MCULE-4291299712.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-489144003 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-900155136 | AvaChem Scientific | In stock | 95 | As is | in stock |
| P-851278520 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861491341 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579627272 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-852493800 | Matrix Scientific | All | N/A | As is | in stock |
| P-854714477 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-896627583 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-474024141 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608276896 | Molnova | Stock | 98 | As is | in stock |
| P-500416092 | AvaChem Scientific | On demand | 95 | Main component | by synthesis |
| P-871218433 | BOC Sciences | All products | N/A | Main component | by resynthesis (? - ? days) |
| P-851242979 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-861487448 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-852521013 | Matrix Scientific | All | N/A | Main component | in stock |
| P-863729985 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
| P-896628247 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
| P-584619954 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-474024895 | MedKoo | In stock compounds | 95 | Main component | in stock |
| P-888170640 | Molnova | On demand | 98 | Main component | by synthesis |
| P-617403127 | Selleckchem | Product Catalog | N/A | Main component | in stock |
| P-610963093 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component as a main component | 9.533 g |
| P-579478848 | DC Chemicals Limited | Stock Products | 95 | Main component as a main component | in stock |
| P-579711444 | Selleckchem | Product Catalog | N/A | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 508.562 |
| logP | 3.2516 |
| H-bond acceptors | 9 |
| H-bond donors | 6 |
| Rotatable bonds | 8 |
| PSA | 159.95 |
| RO5 violations | 2 |
| RO3 violations | 6 |
| Refractivity | 141.2388 |
| Atoms | 69 |
| Rings | 4 |
| Heavy atoms | 37 |
| Hydrogen atoms | 32 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
