MCULE-1817152116
- 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 | 21 USD | 98 | 16 working days | Get Quote |
| 5 mg | 21 USD | 98 | 16 working days | Get Quote |
| 10 mg | 21 USD | 98 | 16 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-3342308366
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1817152116.sdf |
| SMILES | MCULE-1817152116.smiles |
| Standard InChI | MCULE-1817152116.inchi |
| InChIKey | MCULE-1817152116.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867560824 | 98 | As is | in stock |
| P-875721319 | N/A | As is | in stock |
| P-505348301 | 98 | As is | in stock |
| P-903050124 | 98 | As is | 40 g |
| P-893617866 | 90 | As is | 221.474 g |
| P-596945331 | 98 | As is | 25 g |
| P-864172680 | 95 | As is | in stock |
| P-871218417 | N/A | As is | by resynthesis (? - ? days) |
| P-893219279 | 95 | As is | in stock |
| P-893233603 | 95 | As is | in stock |
| P-851268129 | 95 | As is | by synthesis |
| P-580450336 | 99 | As is | in stock |
| P-887090303 | 98 | As is | in stock |
| P-868658883 | 95 | As is | in stock |
| P-870652676 | N/A | As is | in stock |
| P-505538927 | 95 | As is | in stock |
| P-524443316 | 97 | As is | 44 mg |
| P-905476256 | N/A | As is | unavailable |
| P-896627671 | 95 | As is | by synthesis |
| P-854690513 | 95 | As is | in stock |
| P-474024913 | 95 | As is | in stock |
| P-608274104 | 98 | As is | in stock |
| P-500392520 | 98 | As is | by synthesis |
| P-579710125 | N/A | As is | in stock |
| P-904256028 | 95 | As is | in stock |
| P-869108077 | 95 | As is | by synthesis |
| P-892286743 | 95 | As is | unavailable |
| P-888627121 | 95 | As is | 22 mg |
| P-596714565 | 90 | As is | 80 mg |
| P-906782301 | 98 | As is | by synthesis |
| P-611474995 | 90 | As is | in stock |
| P-611461360 | 90 | As is | in stock |
| P-892862095 | 95 | Main component | in stock |
| P-890155043 | N/A | Main component | in stock |
| P-903134830 | 98 | Main component | 200 mg |
| P-893606338 | 90 | Main component | 2.202 g |
| P-900246528 | 97 | Main component | 2 g |
| P-500413854 | 95 | Main component | by synthesis |
| P-901424704 | 95 | Main component | by synthesis |
| P-868658882 | 95 | Main component | in stock |
| P-505515675 | 95 | Main component | in stock |
| P-888621704 | 95 | Main component | 5 mg |
| P-1263697765 | 95 | Main component | in stock |
| P-584621601 | 95 | Main component | in stock |
| P-869126648 | 95 | Main component | by synthesis |
| P-904247249 | 95 | Main component | unavailable |
| P-888639979 | 95 | Main component | 74 mg |
| P-611474242 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 300.823 |
| logP | 3.8888 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 6.48 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 97.165 |
| Atoms | 42 |
| Rings | 4 |
| Heavy atoms | 21 |
| Hydrogen atoms | 21 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

