Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4818082817
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 | 34 USD | 95 | 14 working days | Get Quote |
| 5 mg | 53 USD | 98 | 16 working days | Get Quote |
| 10 mg | 73 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.
| Name | File |
|---|---|
| SDF | MCULE-4818082817.sdf |
| SMILES | MCULE-4818082817.smiles |
| Standard InChI | MCULE-4818082817.inchi |
| InChIKey | MCULE-4818082817.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-590637037 | BLD pharm | In-stock building blocks | 99 | As is | 214 mg |
| P-851305747 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861553253 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-852467861 | Matrix Scientific | All | N/A | As is | in stock |
| P-896628850 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
| P-854715251 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-874446290 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474027536 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608276589 | Molnova | Stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 387.513 |
| logP | 5.7017 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 8 |
| PSA | 32.7 |
| RO5 violations | 1 |
| RO3 violations | 3 |
| Refractivity | 121.745 |
| Atoms | 58 |
| Rings | 3 |
| Heavy atoms | 29 |
| Hydrogen atoms | 29 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
