Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9706874325
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 | 14 working days | Get Quote |
| 5 mg | 5 USD | 98 | 14 working days | Get Quote |
| 10 mg | 5 USD | 98 | 14 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-9706874325.sdf |
| SMILES | MCULE-9706874325.smiles |
| Standard InChI | MCULE-9706874325.inchi |
| InChIKey | MCULE-9706874325.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867560871 | 99 | As is | in stock |
| P-875721371 | N/A | As is | in stock |
| P-881661827 | 95 | As is | in stock |
| P-588248056 | 98 | As is | in stock |
| P-903050062 | 98 | As is | 1000 g |
| P-606843055 | N/A | As is | in stock |
| P-489141497 | 97 | As is | in stock |
| P-596982578 | 98 | As is | 200 g |
| P-864110925 | 98 | As is | in stock |
| P-615696731 | 95 | As is | 100 g |
| P-580402279 | 95 | As is | by resynthesis (? - ? days) |
| P-861919621 | 99 | As is | 1.3938 kg |
| P-905328036 | 99 | As is | 326 g |
| P-596563850 | 97 | As is | 100 g |
| P-579617093 | 99 | As is | 100 g |
| P-31274147 | 90 | As is | 10 g |
| P-856039483 | 90 | As is | 10 g |
| P-580496778 | 98 | As is | by synthesis |
| P-902974427 | 95 | As is | by synthesis |
| P-854758468 | 95 | As is | in stock |
| P-885558490 | 95 | As is | by synthesis |
| P-906904317 | 98 | As is | in stock |
| P-906774028 | 98 | As is | by synthesis |
| P-855010351 | 90 | As is | in stock |
| P-615450401 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 92.162 |
| logP | 0.3417 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 45.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 25.2878 |
| Atoms | 13 |
| Rings | 0 |
| Heavy atoms | 5 |
| Hydrogen atoms | 8 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
