MCULE-1359972581-0
- 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 | 3 USD | 98 | 14 working days | Get Quote |
| 5 mg | 3 USD | 98 | 14 working days | Get Quote |
| 10 mg | 3 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.
-
1
MCULE-6168408668-0
- Component type: Main
-
1
MCULE-5646000632-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1359972581-0.sdf |
| SMILES | MCULE-1359972581-0.smiles |
| Standard InChI | MCULE-1359972581-0.inchi |
| InChIKey | MCULE-1359972581-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-890159740 | N/A | As is | in stock |
| P-903161588 | 95 | As is | 700 g |
| P-619199634 | 95 | As is | 600 g |
| P-905466806 | 95 | As is | in stock |
| P-868597147 | 98 | As is | in stock |
| P-906818788 | 95 | As is | by synthesis |
| P-855101907 | 90 | As is | in stock |
| P-893174217 | N/A | Main component | by synthesis |
| P-867564978 | 98 | Main component | in stock |
| P-875724601 | N/A | Main component | in stock |
| P-869188256 | 98 | Main component | in stock |
| P-590380694 | 99 | Main component | in stock |
| P-903053591 | 98 | Main component | 5.5 kg |
| P-606889305 | N/A | Main component | in stock |
| P-596946694 | 99 | Main component | 1000 g |
| P-864144890 | 95 | Main component | in stock |
| P-580709206 | 98 | Main component | 625 g |
| P-868611990 | 98 | Main component | in stock |
| P-905344650 | 95 | Main component | 1.6 kg |
| P-862024843 | 95 | Main component | 3.84824 kg |
| P-870661360 | 98 | Main component | in stock |
| P-505491719 | 95 | Main component | in stock |
| P-856041005 | 90 | Main component | 10 g |
| P-31273021 | 90 | Main component | 5 g |
| P-860792030 | N/A | Main component | by synthesis |
| P-904059999 | 95 | Main component | by synthesis |
| P-854690980 | 95 | Main component | in stock |
| P-584618166 | 95 | Main component | in stock |
| P-885527049 | 95 | Main component | by synthesis |
| P-424905499 | 90 | Main component | in stock |
| P-617403618 | N/A | Main component | in stock |
| P-904256642 | 95 | Main component | in stock |
| P-869127153 | 95 | Main component | by synthesis |
| P-904247476 | 95 | Main component | unavailable |
| P-888640332 | 95 | Main component | 97.936 g |
| P-502368317 | 90 | Main component | in stock |
| P-906905083 | 99 | Main component | in stock |
| P-611350680 | 90 | Main component | in stock |
| P-855007424 | 90 | Main component | in stock |
| P-464674224 | 90 | Main component | 1.967 g |
| P-25529553 | 90 | Main component | 1.967 g |
| P-666975310 | 95 | Main component | in stock |
| P-867586167 | 98 | Main component as a main component | in stock |
| P-875745247 | N/A | Main component as a main component | in stock |
| P-616208710 | 98 | Main component as a main component | in stock |
| P-903076014 | 95 | Main component as a main component | 200 mg |
| P-868618891 | 98 | Main component as a main component | in stock |
| P-869177584 | 95 | Main component as a main component | in stock |
| P-855227586 | 90 | Main component as a main component | in stock |
| P-893680971 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 247.331 |
| logP | 3.3805 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 77.84 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 68.0687 |
| Atoms | 42 |
| Rings | 0 |
| Heavy atoms | 17 |
| Hydrogen atoms | 25 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

