Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6825113025
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 | 12 USD | 98 | 22 working days | Get Quote |
| 5 mg | 25 USD | 98 | 20 working days | Get Quote |
| 10 mg | 31 USD | 95 | 7 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-8578460665
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6825113025.sdf |
| SMILES | MCULE-6825113025.smiles |
| Standard InChI | MCULE-6825113025.inchi |
| InChIKey | MCULE-6825113025.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867567274 | 98 | As is | in stock |
| P-875727258 | N/A | As is | in stock |
| P-595222504 | 98 | As is | in stock |
| P-903056482 | 98 | As is | 975 mg |
| P-610975103 | 90 | As is | 31.605 g |
| P-606910926 | N/A | As is | in stock |
| P-489169333 | 97 | As is | in stock |
| P-596947930 | 98 | As is | 300 mg |
| P-580195174 | 98 | As is | in stock |
| P-864144688 | 95 | As is | in stock |
| P-868545192 | 99 | As is | in stock |
| P-580727477 | 98 | As is | 675 mg |
| P-901486340 | 95 | As is | by synthesis |
| P-901413828 | 95 | As is | in stock |
| P-27626175 | 90 | As is | 100 mg |
| P-851268629 | 95 | As is | by synthesis |
| P-860798747 | 98 | As is | in stock |
| P-580451481 | 98 | As is | in stock |
| P-861365075 | 95 | As is | by synthesis |
| P-579479183 | 95 | As is | in stock |
| P-580275726 | 95 | As is | by resynthesis (? - ? days) |
| P-870660502 | N/A | As is | in stock |
| P-675216104 | 95 | As is | in stock |
| P-502748667 | 90 | As is | in stock |
| P-675514483 | 95 | As is | in stock |
| P-596574397 | 97 | As is | 100 mg |
| P-854716490 | 95 | As is | in stock |
| P-474026770 | 95 | As is | in stock |
| P-878641440 | 98 | As is | in stock |
| P-13131865 | 90 | As is | 87 mg |
| P-617708634 | 95 | As is | 87 mg |
| P-500388777 | 98 | As is | by synthesis |
| P-579712250 | N/A | As is | in stock |
| P-869162358 | 95 | As is | by synthesis |
| P-892297472 | 95 | As is | unavailable |
| P-888657730 | 95 | As is | 199 mg |
| P-33460816 | 90 | As is | in stock |
| P-907269756 | 94 | As is | by resynthesis (? - ? days) |
| P-855005378 | 90 | As is | in stock |
| P-575298504 | 95 | As is | in stock |
| P-867408126 | N/A | As a main component | by synthesis |
| P-584625568 | 95 | As a main component | in stock |
| P-500411219 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 302.779 |
| logP | 4.9857 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 73.39 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 84.1267 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 11 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
