Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9450474608
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 working days | Get Quote |
- 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-9450474608.sdf |
| SMILES | MCULE-9450474608.smiles |
| Standard InChI | MCULE-9450474608.inchi |
| InChIKey | MCULE-9450474608.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867687135 | 98 | As is | in stock |
| P-875864797 | 98 | As is | in stock |
| P-1275165889 | 99 | As is | in stock |
| P-903325992 | 98 | As is | 1.5 kg |
| P-1270359417 | 98 | As is | in stock |
| P-851948168 | N/A | As is | in stock |
| P-865933951 | 98 | As is | 540 g |
| P-895928094 | 95 | As is | by resynthesis (? - ? days) |
| P-889578939 | 95 | As is | in stock |
| P-674401951 | 98 | As is | 35 g |
| P-1275108859 | N/A | As is | by resynthesis (? - ? days) |
| P-1264367831 | 98 | As is | 55 g |
| P-905433882 | 98 | As is | 3.29315 kg |
| P-502589196 | 95 | As is | by synthesis |
| P-855963619 | 97 | As is | 100 g |
| P-1279675722 | N/A | As is | in stock |
| P-1279083679 | N/A | As is | by synthesis |
| P-896630504 | 95 | As is | in stock |
| P-906830133 | 98 | As is | by synthesis |
| P-1279195480 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 266.290 |
| logP | 3.3991 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 43.37 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 76.9555 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 14 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
