Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2758413706
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 | 28 USD | 92 | 18 working days | Get Quote |
| 5 mg | 43 USD | 92 | 18 working days | Get Quote |
| 10 mg | 54 USD | 92 | 18 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-2758413706.sdf |
| SMILES | MCULE-2758413706.smiles |
| Standard InChI | MCULE-2758413706.inchi |
| InChIKey | MCULE-2758413706.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852077837 | 95 | As is | by synthesis |
| P-904505990 | 95 | As is | in stock |
| P-851744474 | N/A | As is | by synthesis |
| P-901359861 | 95 | As is | by synthesis |
| P-454720264 | 90 | As is | in stock |
| P-436464169 | 95 | As is | 2 g |
| P-488545342 | 90 | As is | in stock |
| P-13942311 | 92 | As is | 300 mg |
| P-596598064 | 90 | As is | 5 g |
| P-14293181 | 90 | As is | 66 mg |
| P-617685866 | 90 | As is | 110 mg |
| P-26369397 | 90 | As is | 110 mg |
| P-454365593 | 92 | As is | in stock |
| P-445340008 | 92 | As is | 300 mg |
| P-885515837 | 95 | As is | by synthesis |
| P-424826445 | 90 | As is | in stock |
| P-33913868 | 90 | As is | in stock |
| P-502354280 | 90 | As is | in stock |
| P-855311053 | 90 | As is | in stock |
| P-2707678 | 90 | As is | 206 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 264.274 |
| logP | 3.5646 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 76.9825 |
| Atoms | 32 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 12 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 2 |
| Undefined stereo double bonds | 0 |
