Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2286394999-0
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 | 73 USD | 98 | 22 working days | Get Quote |
| 5 mg | 216 USD | 95 | 12 working days | Get Quote |
| 10 mg | 368 USD | 98 | 15 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-6297601091-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2286394999-0.sdf |
| SMILES | MCULE-2286394999-0.smiles |
| Standard InChI | MCULE-2286394999-0.inchi |
| InChIKey | MCULE-2286394999-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867681319 | 98 | As is | in stock |
| P-875858127 | N/A | As is | in stock |
| P-869202670 | 95 | As is | in stock |
| P-903312628 | 98 | As is | 25 mg |
| P-891657386 | N/A | As is | by synthesis |
| P-895106645 | 98 | As is | 25 mg |
| P-889797144 | 95 | As is | by synthesis |
| P-905565110 | 97 | As is | by synthesis |
| P-873250246 | 97 | As is | 10 mg |
| P-854713847 | 95 | As is | in stock |
| P-871073957 | 95 | As is | in stock |
| P-869157520 | 95 | As is | by synthesis |
| P-888653567 | 95 | As is | unavailable |
| P-886756770 | 98 | Main component | in stock |
| P-901303440 | N/A | Main component | in stock |
| P-894674820 | 95 | Main component | in stock |
| P-903365607 | 98 | Main component | 25 mg |
| P-1264046759 | 95 | Main component | in stock |
| P-1263859487 | N/A | Main component | in stock |
| P-895109499 | 98 | Main component | 25 mg |
| P-889522502 | 95 | Main component | by synthesis |
| P-1264198056 | 98 | Main component | 1.87 g |
| P-851244082 | 95 | Main component | by synthesis |
| P-887188560 | 95 | Main component | by synthesis |
| P-873249336 | 97 | Main component | 10 mg |
| P-852502967 | N/A | Main component | in stock |
| P-854715855 | 95 | Main component | in stock |
| P-892245882 | 95 | Main component | by synthesis |
| P-892332784 | 95 | Main component | unavailable |
| P-855322865 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 525.001 |
| logP | 3.8598 |
| H-bond acceptors | 11 |
| H-bond donors | 2 |
| Rotatable bonds | 7 |
| PSA | 117.63 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 147.6984 |
| Atoms | 66 |
| Rings | 6 |
| Heavy atoms | 37 |
| Hydrogen atoms | 29 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 2 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
