MCULE-1520799551
- 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 | 99 | 14 working days | Get Quote |
| 5 mg | 5 USD | 99 | 14 working days | Get Quote |
| 10 mg | 5 USD | 99 | 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-3339750019
- Component type: Main
-
2
MCULE-8295936189
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1520799551.sdf |
| SMILES | MCULE-1520799551.smiles |
| Standard InChI | MCULE-1520799551.inchi |
| InChIKey | MCULE-1520799551.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-489201043 | 97 | As is | in stock |
| P-580427043 | 95 | As is | by resynthesis (? - ? days) |
| P-867565884 | 97 | Main component | in stock |
| P-875725723 | 97 | Main component | in stock |
| P-1275144395 | 95 | Main component | in stock |
| P-1275177198 | 98 | Main component | in stock |
| P-901329102 | 98 | Main component | in stock |
| P-903054599 | 99 | Main component | 7.5 kg |
| P-1264052964 | 99 | Main component | in stock |
| P-1270275043 | 98 | Main component | in stock |
| P-851928910 | N/A | Main component | in stock |
| P-606951244 | N/A | Main component | in stock |
| P-596947064 | 99 | Main component | 10 kg |
| P-1273455408 | 95 | Main component | by resynthesis (? - ? days) |
| P-494328226 | 95 | Main component | by resynthesis (? - ? days) |
| P-864183877 | 95 | Main component | in stock |
| P-580701008 | 99 | Main component | 1.53 kg |
| P-893251860 | 95 | Main component | by synthesis |
| P-868614943 | 95 | Main component | in stock |
| P-580419074 | 95 | Main component | by resynthesis (? - ? days) |
| P-862010982 | 97 | Main component | 40.9783 kg |
| P-905340816 | 97 | Main component | 1.602 kg |
| P-870662949 | 97 | Main component | in stock |
| P-505491691 | 95 | Main component | in stock |
| P-856009453 | 97 | Main component | 25.049 g |
| P-31249542 | 90 | Main component | unavailable |
| P-613276428 | 95 | Main component | by synthesis |
| P-580487212 | N/A | Main component | by synthesis |
| P-852604830 | N/A | Main component | by synthesis |
| P-895187100 | 95 | Main component | in stock |
| P-854711733 | 95 | Main component | in stock |
| P-584626115 | 95 | Main component | in stock |
| P-619673090 | 98 | Main component | in stock |
| P-500403976 | 98 | Main component | by synthesis |
| P-885542161 | 95 | Main component | by synthesis |
| P-19535182 | 90 | Main component | in stock |
| P-617402472 | 98 | Main component | in stock |
| P-594274368 | 95 | Main component | 1.494 g |
| P-892295896 | 95 | Main component | 2.494 g |
| P-888656802 | 95 | Main component | 2.494 g |
| P-22855295 | 90 | Main component | in stock |
| P-1271680237 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 286.320 |
| logP | 2.5771 |
| H-bond acceptors | 6 |
| H-bond donors | 4 |
| Rotatable bonds | 1 |
| PSA | 115.06 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 76.7576 |
| Atoms | 42 |
| Rings | 1 |
| Heavy atoms | 20 |
| Hydrogen atoms | 22 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |

