MCULE-6616698387-0
- 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 |
- 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-7993284271-0
- Component type: Main
-
1
MCULE-4467353796-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6616698387-0.sdf |
| SMILES | MCULE-6616698387-0.smiles |
| Standard InChI | MCULE-6616698387-0.inchi |
| InChIKey | MCULE-6616698387-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489125954 | 97 | As is | in stock |
| P-867564107 | 98 | Main component | in stock |
| P-875723304 | N/A | Main component | in stock |
| P-535625202 | 95 | Main component | in stock |
| P-505393700 | 98 | Main component | in stock |
| P-903052997 | 98 | Main component | 4 kg |
| P-580241530 | 95 | Main component | by synthesis |
| P-606893616 | N/A | Main component | in stock |
| P-489123668 | 97 | Main component | in stock |
| P-596928535 | 98 | Main component | 1000 g |
| P-494351706 | 95 | Main component | 3.3 g |
| P-864088939 | 97 | Main component | in stock |
| P-580722612 | 98 | Main component | 1.527 kg |
| P-851266322 | 95 | Main component | by synthesis |
| P-868577852 | 98 | Main component | in stock |
| P-905329763 | 98 | Main component | 160 g |
| P-861929401 | 98 | Main component | 3.03151 kg |
| P-588281364 | 97 | Main component | in stock |
| P-870655296 | N/A | Main component | in stock |
| P-505536682 | 95 | Main component | in stock |
| P-505536683 | 95 | Main component | in stock |
| P-454351551 | 95 | Main component | 894 mg |
| P-454416866 | 95 | Main component | 100 g |
| P-579612561 | 95 | Main component | 1000 g |
| P-580464762 | 97 | Main component | by synthesis |
| P-852443254 | N/A | Main component | in stock |
| P-428002311 | 90 | Main component | 100.7 kg |
| P-904720951 | 90 | Main component | in stock |
| P-617673534 | 90 | Main component | 1.2 g |
| P-617692775 | 95 | Main component | 1.2 g |
| P-579713798 | N/A | Main component | in stock |
| P-500412601 | 95 | Main component | by synthesis |
| P-885544174 | 95 | Main component | by synthesis |
| P-596774415 | 95 | Main component | 2.282 kg |
| P-502372526 | 90 | Main component | in stock |
| P-906772353 | 98 | Main component | by synthesis |
| P-611386448 | 90 | Main component | in stock |
| P-615395767 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 270.279 |
| logP | 2.9059 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 74.6 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 74.9128 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |

