Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2332928045-0
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 | 31 USD | 90 | 21 working days | Get Quote |
| 5 mg | 31 USD | 90 | 21 working days | Get Quote |
| 10 mg | 31 USD | 90 | 21 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-9372371126-0
- Component type: Main
-
2
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2332928045-0.sdf |
| SMILES | MCULE-2332928045-0.smiles |
| Standard InChI | MCULE-2332928045-0.inchi |
| InChIKey | MCULE-2332928045-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-885906145 | 95 | As is | by synthesis |
| P-904525869 | 95 | As is | in stock |
| P-610979779 | 90 | As is | 4.8 g |
| P-502943301 | 90 | As is | in stock |
| P-492225132 | 95 | As is | in stock |
| P-601050739 | 90 | As is | 4.795 g |
| P-25840502 | 95 | As is | 4.795 g |
| P-895333571 | 95 | As is | by synthesis |
| P-617705337 | 90 | As is | 188 mg |
| P-26536072 | 90 | As is | 188 mg |
| P-855252531 | 90 | As is | in stock |
| P-867626936 | 95 | Main component | in stock |
| P-875789895 | N/A | Main component | in stock |
| P-590417539 | 95 | Main component | in stock |
| P-903141304 | 97 | Main component | 5 g |
| P-873294464 | 97 | Main component | unavailable |
| P-866729887 | 95 | Main component | 950 mg |
| P-596473127 | 90 | Main component | 1000 mg |
| P-596499259 | 90 | Main component | 1000 mg |
| P-864093148 | 95 | Main component | in stock |
| P-851339584 | 95 | Main component | by synthesis |
| P-861552978 | 95 | Main component | by synthesis |
| P-579523447 | 90 | Main component | 1 mg |
| P-890212247 | 90 | Main component | in stock |
| P-502482992 | 95 | Main component | by synthesis |
| P-502871799 | 90 | Main component | in stock |
| P-454295218 | 95 | Main component | 24 mg |
| P-454390807 | 95 | Main component | 1000 mg |
| P-608120263 | 95 | Main component | 5 g |
| P-852386596 | N/A | Main component | in stock |
| P-854808465 | 95 | Main component | by synthesis |
| P-502333961 | 90 | Main component | in stock |
| P-23339137 | 94 | Main component | by resynthesis (? - ? days) |
| P-611597532 | 90 | Main component | in stock |
| P-588819166 | N/A | Main component | by synthesis |
| P-893971320 | 95 | Main component | in stock |
| P-886932091 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 279.203 |
| logP | 3.2608 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 38.49 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 77.8624 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 20 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
