MCULE-1064182684-0
- 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 | 107 USD | 95 | 24 working days | Get Quote |
| 5 mg | 107 USD | 95 | 24 working days | Get Quote |
| 10 mg | 107 USD | 95 | 24 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-7329517559-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1064182684-0.sdf |
| SMILES | MCULE-1064182684-0.smiles |
| Standard InChI | MCULE-1064182684-0.inchi |
| InChIKey | MCULE-1064182684-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903184660 | 98 | As is | 10 g |
| P-905504512 | 95 | As is | by synthesis |
| P-893496079 | 90 | As is | 123.733 g |
| P-904334329 | 90 | As is | 11.7 g |
| P-901870298 | 98 | As is | by synthesis |
| P-861567570 | 95 | As is | by synthesis |
| P-851239381 | 95 | As is | by synthesis |
| P-852519423 | N/A | As is | in stock |
| P-903008232 | 97 | Main component | 10 g |
| P-893469321 | 90 | Main component | 25 g |
| P-590737213 | 95 | Main component | by synthesis |
| P-851238896 | 95 | Main component | by synthesis |
| P-861502240 | 95 | Main component | by synthesis |
| P-852439943 | N/A | Main component | in stock |
| P-854777198 | 95 | Main component | by synthesis |
| P-888857143 | N/A | Main component | in stock |
| P-613801838 | 95 | Main component | in stock |
| P-903119538 | 97 | Main component as a main component | 174 g |
| P-893555755 | 90 | Main component as a main component | 507.637 g |
| P-902968237 | 98 | Main component as a main component | 2.2 g |
| P-851288154 | 95 | Main component as a main component | by synthesis |
| P-887190701 | 95 | Main component as a main component | by synthesis |
| P-889439977 | 98 | Main component as a main component | 169.637 g |
| P-895820140 | 95 | Main component as a main component | by synthesis |
| P-1263153184 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 193.670 |
| logP | 1.6783 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 38.33 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 53.4227 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |

