Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4036566580
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 | 36 USD | 95 | 7 working days | Get Quote |
| 5 mg | 63 USD | 98 | 16 working days | Get Quote |
| 10 mg | 93 USD | N/A | 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-8466825836
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4036566580.sdf |
| SMILES | MCULE-4036566580.smiles |
| Standard InChI | MCULE-4036566580.inchi |
| InChIKey | MCULE-4036566580.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867612646 | N/A | As is | in stock |
| P-875772687 | 97 | As is | in stock |
| P-869367231 | 95 | As is | by resynthesis (? - ? days) |
| P-505401616 | 95 | As is | by resynthesis (? - ? days) |
| P-610974884 | 90 | As is | 4.324 g |
| P-1270307570 | 97 | As is | in stock |
| P-606902838 | N/A | As is | in stock |
| P-596962954 | 97 | As is | 1000 mg |
| P-1273258887 | 95 | As is | by resynthesis (? - ? days) |
| P-864139934 | 97 | As is | in stock |
| P-590622144 | 97 | As is | 196 mg |
| P-851279871 | 95 | As is | by synthesis |
| P-860800184 | 98 | As is | in stock |
| P-861349564 | 95 | As is | by synthesis |
| P-579479979 | 95 | As is | in stock |
| P-868078817 | 95 | As is | in stock |
| P-524166984 | 95 | As is | 10 mg |
| P-854717409 | 95 | As is | in stock |
| P-905147464 | 95 | As is | by synthesis |
| P-474022668 | 95 | As is | in stock |
| P-608269943 | 98 | As is | in stock |
| P-892290650 | 95 | As is | unavailable |
| P-869125278 | 95 | As is | 100 mg |
| P-888638885 | 95 | As is | 100 mg |
| P-1266259358 | 98 | As a main component | in stock |
| P-890186115 | 98 | As a main component | in stock |
| P-872726377 | 98 | As a main component | in stock |
| P-903344863 | 98 | As a main component | 100 mg |
| P-851909044 | N/A | As a main component | by synthesis |
| P-892193397 | 98 | As a main component | 100 mg |
| P-1274822663 | 95 | As a main component | by resynthesis (? - ? days) |
| P-591055669 | 97 | As a main component | by synthesis |
| P-901482095 | 95 | As a main component | by synthesis |
| P-901544494 | 95 | As a main component | by synthesis |
| P-861489425 | 95 | As a main component | by synthesis |
| P-1273110948 | 95 | As a main component | 100 mg |
| P-1275597441 | 95 | As a main component | in stock |
| P-892252076 | 95 | As a main component | unavailable |
| P-892337110 | 95 | As a main component | unavailable |
| P-666984489 | 98 | As a main component | in stock |
| P-894010776 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 409.477 |
| logP | 4.1611 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 9 |
| PSA | 89.64 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 113.9705 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 27 |
| Heteroatoms | 7 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
