Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5418137483
Compound
Show structure
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 | 15 USD | 99 | 14 working days | Get Quote |
| 5 mg | 17 USD | 98 | 22 working days | Get Quote |
| 10 mg | 33 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-4673248508
- Component type: Main
-
1
MCULE-5726619687
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5418137483.sdf |
| SMILES | MCULE-5418137483.smiles |
| Standard InChI | MCULE-5418137483.inchi |
| InChIKey | MCULE-5418137483.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275893903 | 95 | As is | by synthesis |
| P-867543711 | 98 | Main component | in stock |
| P-875700696 | 98 | Main component | in stock |
| P-1275163421 | 98 | Main component | in stock |
| P-580193864 | 98 | Main component | in stock |
| P-903025340 | 99 | Main component | 500 mg |
| P-1264047220 | 99 | Main component | in stock |
| P-610964192 | 90 | Main component | 18.863 g |
| P-1270374904 | 98 | Main component | in stock |
| P-606894022 | N/A | Main component | in stock |
| P-489244808 | 97 | Main component | in stock |
| P-596939030 | 99 | Main component | 1000 mg |
| P-1273453916 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273459990 | 95 | Main component | by resynthesis (? - ? days) |
| P-864136196 | 95 | Main component | in stock |
| P-860056230 | 98 | Main component | by synthesis |
| P-868544623 | 99 | Main component | in stock |
| P-580719238 | 99 | Main component | 1.36 g |
| P-871218969 | N/A | Main component | by resynthesis (? - ? days) |
| P-901428620 | 95 | Main component | by synthesis |
| P-881634126 | 98 | Main component | in stock |
| P-851247356 | 95 | Main component | by synthesis |
| P-860798277 | 98 | Main component | in stock |
| P-887142790 | 98 | Main component | by synthesis |
| P-579479052 | 95 | Main component | in stock |
| P-901409376 | 99 | Main component | 500 mg |
| P-505545002 | 95 | Main component | in stock |
| P-524166404 | 98 | Main component | 50 mg |
| P-1272595305 | 97 | Main component | 1000 mg |
| P-852503301 | N/A | Main component | by synthesis |
| P-905146189 | 95 | Main component | by synthesis |
| P-854712063 | 95 | Main component | in stock |
| P-474026544 | 95 | Main component | in stock |
| P-608270600 | 98 | Main component | in stock |
| P-885541077 | 95 | Main component | by synthesis |
| P-579711269 | 98 | Main component | in stock |
| P-869122931 | 95 | Main component | 48 mg |
| P-892290062 | 95 | Main component | 1.041 g |
| P-888637178 | 95 | Main component | 1.041 g |
| P-906796657 | 98 | Main component | by synthesis |
| P-611417755 | 90 | Main component | in stock |
| P-480559327 | 98 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 407.321 |
| logP | 2.6136 |
| H-bond acceptors | 12 |
| H-bond donors | 5 |
| Rotatable bonds | 2 |
| PSA | 209.24 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 102.2737 |
| Atoms | 46 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 18 |
| Heteroatoms | 13 |
| N/O atoms | 12 |
| 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 |
