MCULE-3806134491
- 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 | 22 working days | Get Quote |
| 5 mg | 6 USD | 98 | 22 working days | Get Quote |
| 10 mg | 6 USD | 98 | 22 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-4750749400
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3806134491.sdf |
| SMILES | MCULE-3806134491.smiles |
| Standard InChI | MCULE-3806134491.inchi |
| InChIKey | MCULE-3806134491.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-860799449 | 98 | As is | in stock |
| P-867657975 | 98 | Main component | in stock |
| P-867412425 | N/A | Main component | by synthesis |
| P-867507725 | N/A | Main component | by synthesis |
| P-875826427 | N/A | Main component | in stock |
| P-869188651 | 95 | Main component | in stock |
| P-505353077 | 98 | Main component | in stock |
| P-505388947 | 99 | Main component | in stock |
| P-903199647 | 98 | Main component | 3 kg |
| P-1264047018 | 95 | Main component | in stock |
| P-893591758 | 90 | Main component | 818.788 g |
| P-606855194 | N/A | Main component | in stock |
| P-596971575 | 98 | Main component | 1000 g |
| P-580192489 | 98 | Main component | in stock |
| P-864113763 | 99 | Main component | in stock |
| P-900155084 | 99 | Main component | in stock |
| P-868544403 | 99 | Main component | in stock |
| P-871221240 | N/A | Main component | by resynthesis (? - ? days) |
| P-901545264 | 95 | Main component | by synthesis |
| P-901545265 | 95 | Main component | by synthesis |
| P-893218899 | 95 | Main component | in stock |
| P-893224834 | 95 | Main component | in stock |
| P-454754342 | 90 | Main component | in stock |
| P-619340708 | 90 | Main component | 898.995 g |
| P-881634098 | 98 | Main component | in stock |
| P-617330339 | 95 | Main component | in stock |
| P-888179878 | 90 | Main component | in stock |
| P-851249663 | 95 | Main component | by synthesis |
| P-860798035 | 98 | Main component | in stock |
| P-868579293 | 98 | Main component | in stock |
| P-579477047 | 95 | Main component | in stock |
| P-500417239 | 98 | Main component | in stock |
| P-505493273 | 95 | Main component | in stock |
| P-890850414 | 95 | Main component | in stock |
| P-488555369 | 92 | Main component | in stock |
| P-488553543 | 90 | Main component | in stock |
| P-524440322 | 97 | Main component | 100.408 g |
| P-579623349 | 98 | Main component | 5 kg |
| P-852416710 | N/A | Main component | in stock |
| P-854714639 | 95 | Main component | in stock |
| P-1263159468 | 95 | Main component | in stock |
| P-474022179 | 95 | Main component | in stock |
| P-608272887 | 98 | Main component | in stock |
| P-454373436 | 92 | Main component | in stock |
| P-445303536 | 92 | Main component | 300 mg |
| P-500371854 | 98 | Main component | by synthesis |
| P-1263957311 | 90 | Main component | in stock |
| P-885529234 | 95 | Main component | by synthesis |
| P-605215178 | 90 | Main component | in stock |
| P-579710026 | N/A | Main component | in stock |
| P-869107894 | 95 | Main component | by synthesis |
| P-892286483 | 95 | Main component | 1.952 g |
| P-888626919 | 95 | Main component | 1.952 g |
| P-907169978 | 94 | Main component | by resynthesis (? - ? days) |
| P-596714540 | 90 | Main component | 15 mg |
| P-906761500 | 98 | Main component | by synthesis |
| P-611434353 | 90 | Main component | in stock |
| P-35134802 | 90 | Main component | 117 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 417.833 |
| logP | 6.097 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 86.36 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 96.9274 |
| Atoms | 42 |
| Rings | 3 |
| Heavy atoms | 27 |
| Hydrogen atoms | 15 |
| Heteroatoms | 10 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |

