MCULE-4067336956
- 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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-4067336956.sdf |
| SMILES | MCULE-4067336956.smiles |
| Standard InChI | MCULE-4067336956.inchi |
| InChIKey | MCULE-4067336956.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852072219 | 95 | As is | by synthesis |
| P-890142434 | 95 | As is | in stock |
| P-615720953 | 95 | As is | by resynthesis (? - ? days) |
| P-893451745 | 90 | As is | 2.019 g |
| P-851754129 | N/A | As is | by synthesis |
| P-489237343 | 97 | As is | in stock |
| P-590973896 | 95 | As is | by synthesis |
| P-427946287 | 90 | As is | 5 mg |
| P-492245319 | 95 | As is | in stock |
| P-13030692 | 92 | As is | 300 mg |
| P-454410120 | 95 | As is | 28.455 g |
| P-18740932 | 95 | As is | 28.455 g |
| P-1267082961 | 95 | As is | 1.82 g |
| P-601077956 | 90 | As is | 175 mg |
| P-468061975 | 95 | As is | 175 mg |
| P-852414110 | 95 | As is | by synthesis |
| P-895334719 | 95 | As is | by synthesis |
| P-864663430 | 92 | As is | 300 mg |
| P-19475342 | 90 | As is | in stock |
| P-22892298 | 90 | As is | in stock |
| P-855247604 | 90 | As is | in stock |
| P-1193682 | 90 | As is | 237 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 299.749 |
| logP | 4.665 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 42.09 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 84.8312 |
| Atoms | 35 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

