Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9481096822-0
Structure
Show compound
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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.
-
1
MCULE-4509365715-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9481096822-0.sdf |
| SMILES | MCULE-9481096822-0.smiles |
| Standard InChI | MCULE-9481096822-0.inchi |
| InChIKey | MCULE-9481096822-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-893156786 | N/A | As is | by synthesis |
| P-590390311 | 97 | As is | in stock |
| P-489120229 | 97 | As is | in stock |
| P-869395054 | 97 | As is | by synthesis |
| P-901474391 | 95 | As is | by synthesis |
| P-580376949 | N/A | As is | by resynthesis (? - ? days) |
| P-870640110 | 95 | As is | 100 mg |
| P-596569299 | 95 | As is | 5 g |
| P-893138184 | N/A | Main component | by synthesis |
| P-867587391 | 99 | Main component | in stock |
| P-867393155 | N/A | Main component | by synthesis |
| P-867495980 | N/A | Main component | by synthesis |
| P-867522946 | N/A | Main component | by synthesis |
| P-875746396 | N/A | Main component | in stock |
| P-869187110 | 98 | Main component | in stock |
| P-505352208 | N/A | Main component | in stock |
| P-903077120 | 98 | Main component | 5.566 kg |
| P-580198555 | 95 | Main component | 20 g |
| P-675187374 | 70 | Main component | 100 mg |
| P-596931671 | 98 | Main component | 100 kg |
| P-895957715 | 95 | Main component | unavailable |
| P-864187709 | 98 | Main component | in stock |
| P-901467271 | 95 | Main component | by synthesis |
| P-901514686 | 95 | Main component | by synthesis |
| P-901551578 | 95 | Main component | by synthesis |
| P-901505274 | 95 | Main component | by synthesis |
| P-893231897 | 95 | Main component | in stock |
| P-893236434 | 95 | Main component | in stock |
| P-675062483 | 90 | Main component | in stock |
| P-862002120 | 95 | Main component | 9.30662 kg |
| P-608220737 | 98 | Main component | in stock |
| P-500417421 | 99 | Main component | in stock |
| P-500417928 | 99 | Main component | in stock |
| P-500417929 | 98 | Main component | in stock |
| P-505492411 | 95 | Main component | in stock |
| P-492243035 | 95 | Main component | in stock |
| P-855992371 | 98 | Main component | 89 mg |
| P-855992398 | 98 | Main component | 100 mg |
| P-596545964 | 98 | Main component | 1.09 g |
| P-524162980 | 98 | Main component | 1000 g |
| P-524163052 | 98 | Main component | 1000 g |
| P-524164594 | 98 | Main component | 500 g |
| P-856042243 | 90 | Main component | 10 g |
| P-31249083 | 90 | Main component | 10 g |
| P-613284292 | 95 | Main component | by synthesis |
| P-580495638 | 98 | Main component | by synthesis |
| P-852444311 | N/A | Main component | in stock |
| P-904721309 | 90 | Main component | in stock |
| P-902978896 | 95 | Main component | in stock |
| P-620055041 | 90 | Main component | 1000 mg |
| P-620221910 | 95 | Main component | 1000 mg |
| P-881611021 | 92 | Main component | in stock |
| P-424839350 | 90 | Main component | in stock |
| P-502366782 | 90 | Main component | in stock |
| P-33163470 | 90 | Main component | 1000 mg |
| P-906903873 | 98 | Main component | in stock |
| P-906904900 | 99 | Main component | in stock |
| P-906776957 | N/A | Main component | by synthesis |
| P-906759855 | 98 | Main component | by synthesis |
| P-906760565 | 99 | Main component | by synthesis |
| P-611379369 | 90 | Main component | in stock |
| P-25523620 | 90 | Main component | 707 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 201.648 |
| logP | 2.1433 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 52.4662 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
