MCULE-9777942195
- 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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-9777942195.sdf |
| SMILES | MCULE-9777942195.smiles |
| Standard InChI | MCULE-9777942195.inchi |
| InChIKey | MCULE-9777942195.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867551863 | 98 | As is | in stock |
| P-875709761 | N/A | As is | in stock |
| P-869185523 | 95 | As is | in stock |
| P-505400458 | 98 | As is | in stock |
| P-903036210 | 98 | As is | 600 g |
| P-893557364 | 90 | As is | 736.183 g |
| P-606888831 | N/A | As is | in stock |
| P-489154673 | 97 | As is | in stock |
| P-596941853 | 98 | As is | 200 g |
| P-494333743 | 95 | As is | by resynthesis (? - ? days) |
| P-864103980 | 95 | As is | in stock |
| P-481167294 | 95 | As is | 13 g |
| P-580723229 | 98 | As is | 127.5 g |
| P-619927738 | 90 | As is | by synthesis |
| P-851250986 | 95 | As is | by synthesis |
| P-868584864 | 98 | As is | in stock |
| P-34470181 | 90 | As is | by synthesis |
| P-580405290 | 95 | As is | by resynthesis (? - ? days) |
| P-861951245 | 98 | As is | 864.854 g |
| P-905331412 | 98 | As is | 70 g |
| P-870653409 | 98 | As is | in stock |
| P-505536159 | 95 | As is | in stock |
| P-454414187 | 97 | As is | 25 g |
| P-579647161 | 95 | As is | by resynthesis (? - ? days) |
| P-856043652 | 90 | As is | unavailable |
| P-31156424 | 90 | As is | unavailable |
| P-581745500 | 90 | As is | 65 g |
| P-852432665 | N/A | As is | in stock |
| P-854734138 | 95 | As is | in stock |
| P-500399455 | 98 | As is | by synthesis |
| P-885548368 | 95 | As is | by synthesis |
| P-19554225 | 90 | As is | in stock |
| P-596774637 | 98 | As is | 272.5 g |
| P-22666309 | 90 | As is | in stock |
| P-502350126 | 90 | As is | in stock |
| P-906761841 | 98 | As is | by synthesis |
| P-611364642 | 90 | As is | in stock |
| P-1030492 | 90 | As is | 50 mg |
| P-868505578 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 248.017 |
| logP | 1.8093 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 46.5695 |
| Atoms | 15 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 5 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |

