MCULE-4681721665
- 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 | 23 USD | 98 | 20 working days | Get Quote |
| 10 mg | 36 USD | 98 | 20 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.
| Name | File |
|---|---|
| SDF | MCULE-4681721665.sdf |
| SMILES | MCULE-4681721665.smiles |
| Standard InChI | MCULE-4681721665.inchi |
| InChIKey | MCULE-4681721665.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867648831 | 98 | As is | in stock |
| P-875816780 | N/A | As is | in stock |
| P-505394076 | 98 | As is | in stock |
| P-853438736 | 98 | As is | in stock |
| P-903179914 | 98 | As is | 2 g |
| P-1264046754 | 95 | As is | in stock |
| P-610961734 | 90 | As is | 19.801 g |
| P-617069163 | N/A | As is | in stock |
| P-606881076 | N/A | As is | in stock |
| P-489129994 | 97 | As is | in stock |
| P-596970607 | 98 | As is | 2 g |
| P-580193137 | 98 | As is | in stock |
| P-873287504 | 95 | As is | in stock |
| P-868544071 | 99 | As is | in stock |
| P-584628459 | 98 | As is | 2.7 g |
| P-893253904 | 95 | As is | by synthesis |
| P-881633977 | 98 | As is | in stock |
| P-851249213 | 98 | As is | by synthesis |
| P-860797637 | 98 | As is | in stock |
| P-861366949 | 95 | As is | by synthesis |
| P-579479209 | 95 | As is | in stock |
| P-675213744 | 95 | As is | in stock |
| P-524166349 | 95 | As is | 1 mg |
| P-579627257 | 97 | As is | 25 g |
| P-852523016 | N/A | As is | in stock |
| P-904640905 | 95 | As is | by synthesis |
| P-854718994 | 95 | As is | in stock |
| P-474023390 | 95 | As is | in stock |
| P-608277914 | 98 | As is | in stock |
| P-1263958008 | 90 | As is | in stock |
| P-589631398 | N/A | As is | in stock |
| P-579711203 | N/A | As is | in stock |
| P-873286871 | N/A | As is | in stock |
| P-869124944 | 95 | As is | by synthesis |
| P-892290558 | 95 | As is | 523 mg |
| P-888638623 | 95 | As is | 523 mg |
| P-855005266 | 90 | As is | in stock |
| P-886920984 | 95 | As is | by synthesis |
| P-480840478 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 524.680 |
| logP | 6.3792 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 116.86 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 151.6641 |
| Atoms | 73 |
| Rings | 4 |
| Heavy atoms | 37 |
| Hydrogen atoms | 36 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 |

