MCULE-1995871122
- 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 | 23 USD | 98 | 16 working days | Get Quote |
| 5 mg | 23 USD | 98 | 16 working days | Get Quote |
| 10 mg | 29 USD | 95 | 10 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.
-
1
MCULE-9183620811
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1995871122.sdf |
| SMILES | MCULE-1995871122.smiles |
| Standard InChI | MCULE-1995871122.inchi |
| InChIKey | MCULE-1995871122.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275163562 | 98 | As is | in stock |
| P-872727551 | 98 | As is | in stock |
| P-1264050371 | 99 | As is | in stock |
| P-610982074 | 90 | As is | 53.6 g |
| P-1270273606 | 98 | As is | in stock |
| P-851944211 | N/A | As is | in stock |
| P-489144195 | 97 | As is | in stock |
| P-1273454109 | 95 | As is | by resynthesis (? - ? days) |
| P-579788004 | 95 | As is | 5.228 g |
| P-864130812 | 97 | As is | in stock |
| P-860056030 | 98 | As is | by synthesis |
| P-851146530 | 97 | As is | 7.25 g |
| P-871219503 | N/A | As is | by resynthesis (? - ? days) |
| P-893227318 | 95 | As is | in stock |
| P-851315770 | 95 | As is | by synthesis |
| P-868622982 | 96 | As is | in stock |
| P-862120499 | 97 | As is | 12.75 g |
| P-608220220 | 95 | As is | in stock |
| P-580498994 | 95 | As is | by synthesis |
| P-1272601515 | N/A | As is | 2 g |
| P-852579865 | N/A | As is | by synthesis |
| P-1267000830 | 95 | As is | in stock |
| P-584617507 | 95 | As is | in stock |
| P-878643680 | 98 | As is | in stock |
| P-889866524 | 95 | As is | by synthesis |
| P-873283173 | N/A | As is | in stock |
| P-892290505 | 95 | As is | unavailable |
| P-869124806 | 95 | As is | 214 mg |
| P-888638510 | 95 | As is | 120 mg |
| P-611365259 | 90 | As is | in stock |
| P-1271720579 | 98 | As is | in stock |
| P-891658821 | N/A | Main component | by synthesis |
| P-1274832620 | 95 | Main component | by resynthesis (? - ? days) |
| P-1275488290 | 95 | Main component | in stock |
| P-905571400 | 98 | Main component | by synthesis |
| P-860784883 | N/A | Main component | in stock |
| P-899783363 | 97 | Main component | 5 mg |
| P-491405716 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 350.242 |
| logP | 5.6071 |
| H-bond acceptors | 5 |
| H-bond donors | 5 |
| Rotatable bonds | 3 |
| PSA | 115.53 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 100.1929 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 23 |
| Hydrogen atoms | 17 |
| Heteroatoms | 7 |
| N/O atoms | 5 |
| 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 | 2 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 2 |

