Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2885627411
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 16 working days | Get Quote |
| 5 mg | 22 USD | 98 | 16 working days | Get Quote |
| 10 mg | 22 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-1892353746
- Component type: Main
-
1
MCULE-1504889908
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2885627411.sdf |
| SMILES | MCULE-2885627411.smiles |
| Standard InChI | MCULE-2885627411.inchi |
| InChIKey | MCULE-2885627411.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875830389 | N/A | As is | in stock |
| P-1275187819 | 98 | As is | in stock |
| P-1275182275 | 98 | As is | in stock |
| P-893618726 | 90 | As is | 4 g |
| P-1273452662 | 95 | As is | by resynthesis (? - ? days) |
| P-864228181 | 97 | As is | by synthesis |
| P-893232080 | 95 | As is | in stock |
| P-851206253 | 95 | As is | in stock |
| P-454395177 | 97 | As is | 500 mg |
| P-852545584 | N/A | As is | by synthesis |
| P-904639499 | 95 | As is | in stock |
| P-878645247 | 98 | As is | in stock |
| P-500377624 | 98 | As is | by synthesis |
| P-885560484 | 95 | As is | by synthesis |
| P-869164260 | 95 | As is | 1.004 g |
| P-892300291 | 95 | As is | 1.004 g |
| P-888659477 | 95 | As is | 1.004 g |
| P-873006091 | 90 | As is | 100 mg |
| P-611361020 | 90 | As is | in stock |
| P-1271261343 | 95 | As is | by synthesis |
| P-867659698 | N/A | Main component | in stock |
| P-875828502 | 98 | Main component | in stock |
| P-1275174502 | 98 | Main component | in stock |
| P-1275181445 | 98 | Main component | in stock |
| P-1275143928 | 95 | Main component | in stock |
| P-874634043 | 95 | Main component | by resynthesis (? - ? days) |
| P-893574205 | 90 | Main component | 997.757 g |
| P-489146108 | 97 | Main component | in stock |
| P-1273368139 | 95 | Main component | by resynthesis (? - ? days) |
| P-873287423 | 98 | Main component | in stock |
| P-901459717 | 95 | Main component | by synthesis |
| P-901527406 | 95 | Main component | by synthesis |
| P-608219084 | 98 | Main component | in stock |
| P-505501049 | 95 | Main component | in stock |
| P-579615973 | 95 | Main component | in stock |
| P-896628653 | 95 | Main component | by synthesis |
| P-854692467 | 95 | Main component | in stock |
| P-584618435 | 95 | Main component | in stock |
| P-608275039 | 98 | Main component | in stock |
| P-1263958637 | 90 | Main component | in stock |
| P-889867287 | 95 | Main component | by synthesis |
| P-617402529 | 98 | Main component | in stock |
| P-869109971 | 95 | Main component | 440 mg |
| P-892287449 | 95 | Main component | 440 mg |
| P-888628414 | 95 | Main component | 440 mg |
| P-611361017 | 90 | Main component | in stock |
| P-611361019 | 90 | Main component | in stock |
| P-863673115 | 99 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 395.257 |
| logP | 4.5618 |
| H-bond acceptors | 7 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 110.03 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 92.0566 |
| Atoms | 40 |
| Rings | 2 |
| Heavy atoms | 24 |
| Hydrogen atoms | 16 |
| Heteroatoms | 10 |
| N/O atoms | 7 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
