MCULE-9856052382
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 97 USD | 90 | 17 working days | Get Quote |
| 10 mg | 117 USD | 95 | 11 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-9856052382.sdf |
| SMILES | MCULE-9856052382.smiles |
| Standard InChI | MCULE-9856052382.inchi |
| InChIKey | MCULE-9856052382.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872935944 | 95 | As is | in stock |
| P-901200092 | N/A | As is | by synthesis |
| P-613855129 | 98 | As is | in stock |
| P-903161221 | 95 | As is | 4 g |
| P-905487792 | 95 | As is | 1000 mg |
| P-893533276 | 90 | As is | 6.25 g |
| P-851827616 | N/A | As is | by synthesis |
| P-864094290 | 95 | As is | in stock |
| P-590987872 | 95 | As is | by synthesis |
| P-901465902 | 95 | As is | by synthesis |
| P-619856665 | 90 | As is | 28 mg |
| P-905266306 | 95 | As is | in stock |
| P-34486403 | 90 | As is | by synthesis |
| P-580441321 | 95 | As is | by resynthesis (? - ? days) |
| P-590341169 | 90 | As is | 1000 mg |
| P-890218740 | 90 | As is | 1000 mg |
| P-502537969 | 95 | As is | by synthesis |
| P-563457054 | 95 | As is | 1000 mg |
| P-854760192 | 95 | As is | by synthesis |
| P-491099452 | 95 | As is | by synthesis |
| P-23977227 | 90 | As is | in stock |
| P-870522356 | 95 | As is | 4.25 g |
| P-502383210 | 90 | As is | in stock |
| P-611609843 | 90 | As is | in stock |
| P-2945379 | 90 | As is | 3 mg |
| P-615391532 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 227.283 |
| logP | 3.6689 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 61.36 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 67.079 |
| Atoms | 25 |
| Rings | 3 |
| Heavy atoms | 16 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |

