MCULE-1627473240-0
- 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 | 22 USD | 98 | 20 working days | Get Quote |
| 5 mg | 22 USD | 98 | 20 working days | Get Quote |
| 10 mg | 22 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.
-
1
MCULE-1938065199-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1627473240-0.sdf |
| SMILES | MCULE-1627473240-0.smiles |
| Standard InChI | MCULE-1627473240-0.inchi |
| InChIKey | MCULE-1627473240-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886807567 | 95 | As is | in stock |
| P-890086559 | 95 | As is | by synthesis |
| P-903421911 | 95 | As is | 10 g |
| P-904745093 | N/A | As is | by synthesis |
| P-889800867 | 95 | As is | by synthesis |
| P-905530818 | 95 | As is | by synthesis |
| P-893724258 | 95 | As is | by synthesis |
| P-867570088 | 98 | Main component | in stock |
| P-875730355 | 98 | Main component | in stock |
| P-890256432 | 97 | Main component | by synthesis |
| P-903059482 | 95 | Main component | 200 g |
| P-1264059348 | 99 | Main component | in stock |
| P-893522804 | 90 | Main component | 119.88 g |
| P-1270295766 | 95 | Main component | in stock |
| P-606859699 | N/A | Main component | in stock |
| P-489229427 | 97 | Main component | in stock |
| P-437460124 | 70 | Main component | 5 mg |
| P-596949162 | 98 | Main component | 100 g |
| P-1273456489 | 95 | Main component | by resynthesis (? - ? days) |
| P-864136474 | 95 | Main component | in stock |
| P-580706573 | 95 | Main component | 11.6 g |
| P-901520675 | 95 | Main component | by synthesis |
| P-851281395 | 95 | Main component | by synthesis |
| P-868626152 | 97 | Main component | in stock |
| P-862052899 | 95 | Main component | 5.943 g |
| P-1264355689 | 95 | Main component | 1000 mg |
| P-579522320 | 90 | Main component | 1 mg |
| P-890211157 | 90 | Main component | in stock |
| P-524174866 | 95 | Main component | unavailable |
| P-854694051 | 95 | Main component | in stock |
| P-1267006844 | 95 | Main component | by synthesis |
| P-888174526 | 98 | Main component | by synthesis |
| P-859988688 | 95 | Main component | by synthesis |
| P-869177069 | 95 | Main component | in stock |
| P-892294633 | 95 | Main component | unavailable |
| P-892251223 | 95 | Main component | 939 mg |
| P-892336531 | 95 | Main component | 934 mg |
| P-611559477 | 90 | Main component | in stock |
| P-615654043 | 95 | Main component | unavailable |
| P-1271606587 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 161.585 |
| logP | 1.0815 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 53.35 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 39.3528 |
| Atoms | 18 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |

