MCULE-2382544284-0
- 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 | 76 USD | 97 | 15 working days | Get Quote |
| 5 mg | 76 USD | 97 | 15 working days | Get Quote |
| 10 mg | 76 USD | 97 | 15 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.
-
1
MCULE-9540694086-0
- Component type: Main
-
1
MCULE-9920754312-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2382544284-0.sdf |
| SMILES | MCULE-2382544284-0.smiles |
| Standard InChI | MCULE-2382544284-0.inchi |
| InChIKey | MCULE-2382544284-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553149 | 97 | Main component | in stock |
| P-875711756 | N/A | Main component | in stock |
| P-874608647 | 97 | Main component | in stock |
| P-903038083 | 97 | Main component | 750 mg |
| P-851947353 | N/A | Main component | in stock |
| P-489150229 | 97 | Main component | in stock |
| P-865905936 | 97 | Main component | 300 mg |
| P-1263770416 | 95 | Main component | by synthesis |
| P-617432226 | 97 | Main component | 200 mg |
| P-870589748 | 95 | Main component | by synthesis |
| P-580298191 | 95 | Main component | by resynthesis (? - ? days) |
| P-563566605 | 95 | Main component | 250 mg |
| P-855960891 | 97 | Main component | 1000 mg |
| P-579648759 | 95 | Main component | by resynthesis (? - ? days) |
| P-14440359 | 90 | Main component | 528 mg |
| P-854802683 | 95 | Main component | by synthesis |
| P-889867911 | 95 | Main component | by synthesis |
| P-906794879 | 97 | Main component | by synthesis |
| P-893945140 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 382.452 |
| logP | 2.6816 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 89.87 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 115.7553 |
| Atoms | 54 |
| Rings | 3 |
| Heavy atoms | 28 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

