Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8602425473-0
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 | 13 USD | 98 | 22 working days | Get Quote |
| 5 mg | 20 USD | 98 | 22 working days | Get Quote |
| 10 mg | 25 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.
-
MCULE-3668192383-0
- Component type: Main
-
MCULE-1340150161-0
- Component type: Main
-
MCULE-9246498785-0
- Component type: Main
-
MCULE-6074442371-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-8602425473-0.sdf |
| SMILES | MCULE-8602425473-0.smiles |
| Standard InChI | MCULE-8602425473-0.inchi |
| InChIKey | MCULE-8602425473-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867629263 | 98 | As is | in stock |
| P-875792800 | 98 | As is | in stock |
| P-1275195965 | 98 | As is | in stock |
| P-872724911 | 98 | As is | in stock |
| P-1264047706 | 98 | As is | in stock |
| P-610964195 | 90 | As is | 3.739 g |
| P-1270326735 | 98 | As is | in stock |
| P-606887847 | N/A | As is | in stock |
| P-489144941 | 97 | As is | in stock |
| P-596966048 | 98 | As is | 25 mg |
| P-1273453139 | 95 | As is | by resynthesis (? - ? days) |
| P-1273460367 | 95 | As is | by resynthesis (? - ? days) |
| P-864125518 | 95 | As is | in stock |
| P-871193986 | 98 | As is | 60 mg |
| P-871220056 | N/A | As is | by resynthesis (? - ? days) |
| P-901413221 | 95 | As is | in stock |
| P-893225228 | 95 | As is | in stock |
| P-851249317 | 95 | As is | by synthesis |
| P-860799025 | 98 | As is | in stock |
| P-861492084 | 95 | As is | by synthesis |
| P-579479276 | 95 | As is | in stock |
| P-675213789 | 95 | As is | in stock |
| P-596562171 | 97 | As is | 1 mg |
| P-608120449 | 98 | As is | in stock |
| P-1272597888 | 95 | As is | 100 mg |
| P-852523099 | 95 | As is | by synthesis |
| P-1263158659 | 95 | As is | in stock |
| P-854716113 | 95 | As is | in stock |
| P-474021533 | 95 | As is | in stock |
| P-608274908 | 98 | As is | in stock |
| P-1263958000 | 90 | As is | in stock |
| P-617402849 | N/A | As is | in stock |
| P-892294966 | 95 | As is | unavailable |
| P-869160961 | 95 | As is | 1.717 g |
| P-888656189 | 95 | As is | 1.714 g |
| P-906800796 | 98 | As is | by synthesis |
| P-611467444 | 90 | As is | in stock |
| P-480967551 | 98 | As is | in stock |
| P-867653520 | N/A | As a main component | in stock |
| P-1275163094 | 98 | As a main component | in stock |
| P-903182731 | 98 | As a main component | 1.25 g |
| P-893438358 | 90 | As a main component | by synthesis |
| P-904321233 | 90 | As a main component | 1.615 g |
| P-1270374915 | 98 | As a main component | in stock |
| P-851941155 | N/A | As a main component | in stock |
| P-865924538 | 98 | As a main component | 750 mg |
| P-1273256441 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1273262028 | 95 | As a main component | by resynthesis (? - ? days) |
| P-869390920 | 95 | As a main component | in stock |
| P-901452458 | 95 | As a main component | by synthesis |
| P-870584184 | 95 | As a main component | in stock |
| P-608494589 | 95 | As a main component | in stock |
| P-868078881 | 95 | As a main component | in stock |
| P-888623126 | 95 | As a main component | 5 mg |
| P-855964187 | 97 | As a main component | 100 mg |
| P-904072911 | 95 | As a main component | in stock |
| P-895188274 | 95 | As a main component | by synthesis |
| P-619672791 | 98 | As a main component | in stock |
| P-888171869 | 98 | As a main component | by synthesis |
| P-889863309 | 95 | As a main component | by synthesis |
| P-617402850 | N/A | As a main component | in stock |
| P-892295444 | 95 | As a main component | unavailable |
| P-892295235 | 95 | As a main component | unavailable |
| P-869161240 | 95 | As a main component | 50 mg |
| P-594273879 | 95 | As a main component | 200 mg |
| P-888656473 | 95 | As a main component | 50 mg |
| P-888656499 | 95 | As a main component | 200 mg |
| P-906840500 | 98 | As a main component | by synthesis |
| P-1271682104 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 451.903 |
| logP | 4.3809 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 107.41 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 125.2341 |
| Atoms | 54 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 22 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
