MCULE-6318317369
- 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 | 11 USD | 98 | 20 working days | Get Quote |
| 5 mg | 11 USD | 98 | 20 working days | Get Quote |
| 10 mg | 11 USD | 98 | 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-6318317369.sdf |
| SMILES | MCULE-6318317369.smiles |
| Standard InChI | MCULE-6318317369.inchi |
| InChIKey | MCULE-6318317369.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867578930 | 95 | As is | in stock |
| P-867647116 | 98 | As is | in stock |
| P-615717883 | 96 | As is | in stock |
| P-893541195 | 90 | As is | 166.238 g |
| P-851938922 | N/A | As is | in stock |
| P-901180415 | N/A | As is | in stock |
| P-873296460 | 98 | As is | 60 g |
| P-597007830 | 98 | As is | 15 g |
| P-494397175 | 95 | As is | by resynthesis (? - ? days) |
| P-896029835 | 95 | As is | in stock |
| P-864114475 | 95 | As is | in stock |
| P-580417032 | 95 | As is | by resynthesis (? - ? days) |
| P-889434925 | 95 | As is | 105.237 g |
| P-862032623 | 95 | As is | 22.257 g |
| P-887358205 | 95 | As is | by synthesis |
| P-870639666 | 97 | As is | 100 mg |
| P-596565407 | 97 | As is | 5 g |
| P-31197460 | 90 | As is | unavailable |
| P-860796827 | 98 | As is | 305.2 g |
| P-500384097 | 97 | As is | by synthesis |
| P-885544723 | 95 | As is | by synthesis |
| P-873283891 | N/A | As is | in stock |
| P-904097024 | 98 | As is | 62.5 g |
| P-498695955 | 97 | As is | 0 mg |
| P-502329572 | 90 | As is | in stock |
| P-906864549 | 98 | As is | by synthesis |
| P-854674964 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 138.120 |
| logP | 1.3774 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 50.44 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 35.3778 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 6 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |

