MCULE-3820372765
- 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 | 27 USD | 99 | 20 working days | Get Quote |
| 5 mg | 27 USD | 99 | 20 working days | Get Quote |
| 10 mg | 27 USD | 99 | 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-3820372765.sdf |
| SMILES | MCULE-3820372765.smiles |
| Standard InChI | MCULE-3820372765.inchi |
| InChIKey | MCULE-3820372765.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867605136 | 95 | As is | in stock |
| P-875763051 | N/A | As is | in stock |
| P-615716117 | 95 | As is | in stock |
| P-874649702 | 97 | As is | in stock |
| P-903100076 | 99 | As is | 50 g |
| P-675220165 | 95 | As is | by resynthesis (? - ? days) |
| P-851732625 | N/A | As is | by synthesis |
| P-895095776 | 99 | As is | 50 g |
| P-864137586 | 95 | As is | in stock |
| P-591080900 | 95 | As is | by synthesis |
| P-454638008 | 90 | As is | in stock |
| P-436469553 | 95 | As is | in stock |
| P-868563925 | 97 | As is | in stock |
| P-580393149 | N/A | As is | by resynthesis (? - ? days) |
| P-580304714 | 95 | As is | by resynthesis (? - ? days) |
| P-502509181 | 95 | As is | by synthesis |
| P-502944972 | 90 | As is | in stock |
| P-492239798 | 95 | As is | in stock |
| P-873388942 | N/A | As is | by synthesis |
| P-852448739 | N/A | As is | in stock |
| P-854791520 | 95 | As is | by synthesis |
| P-492278811 | 90 | As is | 4.899 g |
| P-26426954 | 90 | As is | 4.899 g |
| P-19575930 | 90 | As is | in stock |
| P-873229444 | 90 | As is | in stock |
| P-903746954 | 94 | As is | by resynthesis (? - ? days) |
| P-611407139 | 90 | As is | in stock |
| P-611610198 | 90 | As is | in stock |
| P-893676594 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.085 |
| logP | 2.4815 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 53.4317 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

