MCULE-2868045961
- 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 | 21 USD | 98 | 22 working days | Get Quote |
| 5 mg | 30 USD | 98 | 20 working days | Get Quote |
| 10 mg | 71 USD | N/A | 9 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-2868045961.sdf |
| SMILES | MCULE-2868045961.smiles |
| Standard InChI | MCULE-2868045961.inchi |
| InChIKey | MCULE-2868045961.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867537163 | 98 | As is | in stock |
| P-875692861 | 98 | As is | in stock |
| P-869200902 | 95 | As is | by resynthesis (? - ? days) |
| P-1264052851 | 99 | As is | in stock |
| P-893607190 | 90 | As is | 19.589 g |
| P-606879562 | N/A | As is | in stock |
| P-865902602 | 98 | As is | 500 mg |
| P-1273451048 | 95 | As is | by resynthesis (? - ? days) |
| P-1273473203 | 95 | As is | by resynthesis (? - ? days) |
| P-889549858 | 95 | As is | in stock |
| P-580726744 | 98 | As is | 28 mg |
| P-901539560 | 95 | As is | by synthesis |
| P-851283794 | 95 | As is | by synthesis |
| P-860799180 | 98 | As is | in stock |
| P-861371871 | 95 | As is | by synthesis |
| P-579480407 | 95 | As is | in stock |
| P-901410370 | 98 | As is | 500 mg |
| P-868079293 | 95 | As is | in stock |
| P-855923808 | 97 | As is | 100 mg |
| P-854716624 | 95 | As is | in stock |
| P-474024282 | 95 | As is | in stock |
| P-608270329 | 98 | As is | in stock |
| P-889882041 | 95 | As is | by synthesis |
| P-611506710 | 90 | As is | in stock |
| P-611363057 | 90 | As is | in stock |
| P-1271574708 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 346.647 |
| logP | 2.9988 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 93.03 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 71.868 |
| Atoms | 29 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 6 |
| Heteroatoms | 11 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 4 |
| 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 |

