MCULE-6941911399
- 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 | 9 USD | 98 | 20 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 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-6941911399.sdf |
| SMILES | MCULE-6941911399.smiles |
| Standard InChI | MCULE-6941911399.inchi |
| InChIKey | MCULE-6941911399.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867542490 | 98 | As is | in stock |
| P-867686778 | 98 | As is | in stock |
| P-1275160965 | 98 | As is | in stock |
| P-1275168058 | 98 | As is | in stock |
| P-893502844 | 90 | As is | 375.898 g |
| P-1270365926 | 98 | As is | in stock |
| P-1270398056 | 98 | As is | in stock |
| P-580210630 | 95 | As is | by synthesis |
| P-606837287 | N/A | As is | in stock |
| P-606952927 | N/A | As is | in stock |
| P-489171000 | 97 | As is | in stock |
| P-596938755 | 98 | As is | 500 g |
| P-865933355 | 98 | As is | 40 g |
| P-1273299451 | 95 | As is | by resynthesis (? - ? days) |
| P-494307402 | 95 | As is | by resynthesis (? - ? days) |
| P-864102248 | 98 | As is | in stock |
| P-901413929 | 95 | As is | in stock |
| P-580421824 | 95 | As is | by resynthesis (? - ? days) |
| P-1275228584 | 98 | As is | 175.898 g |
| P-861929056 | 98 | As is | 40 g |
| P-887358486 | 95 | As is | by synthesis |
| P-596573961 | 97 | As is | 5 g |
| P-855925076 | 97 | As is | 25 g |
| P-855994869 | 97 | As is | 100 mg |
| P-31179173 | 90 | As is | unavailable |
| P-1279080237 | N/A | As is | by synthesis |
| P-1279071825 | N/A | As is | by synthesis |
| P-1279666401 | N/A | As is | in stock |
| P-1279673086 | N/A | As is | in stock |
| P-1274375114 | 90 | As is | in stock |
| P-500384035 | 98 | As is | by synthesis |
| P-885548425 | 95 | As is | by synthesis |
| P-596758798 | 98 | As is | 54.8 g |
| P-502328958 | 90 | As is | in stock |
| P-33714902 | 94 | As is | by resynthesis (? - ? days) |
| P-906759400 | 98 | As is | by synthesis |
| P-611372984 | 90 | As is | in stock |
| P-1279162006 | 98 | As is | in stock |
| P-1271673611 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 200.592 |
| logP | 2.5769 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.0798 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

