MCULE-2052857874
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 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-3346030220
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2052857874.sdf |
| SMILES | MCULE-2052857874.smiles |
| Standard InChI | MCULE-2052857874.inchi |
| InChIKey | MCULE-2052857874.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867576923 | 98 | As is | in stock |
| P-875737134 | N/A | As is | in stock |
| P-597015659 | 95 | As is | in stock |
| P-881663189 | 95 | As is | in stock |
| P-590399867 | 98 | As is | in stock |
| P-903067095 | 98 | As is | 600 g |
| P-893449195 | 90 | As is | 400 g |
| P-866099733 | 95 | As is | 20 g |
| P-606909136 | N/A | As is | in stock |
| P-596983477 | 98 | As is | 400 g |
| P-494335692 | 95 | As is | by resynthesis (? - ? days) |
| P-864203322 | 95 | As is | in stock |
| P-481174772 | 95 | As is | 77 g |
| P-584630244 | 98 | As is | 631 g |
| P-619927241 | 90 | As is | by synthesis |
| P-868606293 | 95 | As is | in stock |
| P-887109889 | 95 | As is | in stock |
| P-855995966 | 98 | As is | 100 mg |
| P-524183948 | 98 | As is | 500 g |
| P-579623189 | 95 | As is | 500 g |
| P-31277257 | 90 | As is | 10 g |
| P-856041708 | 90 | As is | 10 g |
| P-580467012 | 97 | As is | by synthesis |
| P-852454098 | N/A | As is | in stock |
| P-895256378 | 95 | As is | by synthesis |
| P-500391975 | 98 | As is | by synthesis |
| P-889883661 | 95 | As is | by synthesis |
| P-502329332 | 90 | As is | in stock |
| P-873213306 | 90 | As is | in stock |
| P-873226195 | 90 | As is | in stock |
| P-873221861 | 90 | As is | in stock |
| P-906777238 | 98 | As is | by synthesis |
| P-611438077 | 90 | As is | in stock |
| P-480891021 | 95 | As is | in stock |
| P-612835673 | 95 | Main component | by synthesis |
| P-901271293 | N/A | Main component | in stock |
| P-590399866 | 98 | Main component | in stock |
| P-853440189 | 95 | Main component | in stock |
| P-903147171 | 95 | Main component | 50 g |
| P-866098036 | 95 | Main component | 6.9 g |
| P-606940907 | N/A | Main component | in stock |
| P-619132268 | 95 | Main component | 50 g |
| P-864186556 | 98 | Main component | in stock |
| P-605416823 | 96 | Main component | 6.1 g |
| P-868572060 | 95 | Main component | in stock |
| P-896544247 | 95 | Main component | in stock |
| P-580416407 | 95 | Main component | by resynthesis (? - ? days) |
| P-905321006 | 95 | Main component | in stock |
| P-502567525 | 95 | Main component | by synthesis |
| P-855926350 | 95 | Main component | 5 g |
| P-854785799 | 95 | Main component | by synthesis |
| P-903747949 | 94 | Main component | by resynthesis (? - ? days) |
| P-666976290 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 162.642 |
| logP | 1.8757 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 64.58 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 41.215 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |

