Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5420825991
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 | 32 USD | 99 | 22 working days | Get Quote |
| 5 mg | 39 USD | 99 | 22 working days | Get Quote |
| 10 mg | 46 USD | 99 | 22 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-3124995641
- Component type: Main
-
1
MCULE-6572487779
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5420825991.sdf |
| SMILES | MCULE-5420825991.smiles |
| Standard InChI | MCULE-5420825991.inchi |
| InChIKey | MCULE-5420825991.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1265045931 | N/A | As is | by synthesis |
| P-901449201 | 95 | As is | by synthesis |
| P-854697380 | 95 | As is | by synthesis |
| P-892251225 | 95 | As is | unavailable |
| P-892336533 | 95 | As is | unavailable |
| P-867565505 | 99 | Main component | in stock |
| P-875724882 | 90 | Main component | in stock |
| P-1275165087 | 98 | Main component | in stock |
| P-1275182240 | 98 | Main component | in stock |
| P-1264046614 | 99 | Main component | in stock |
| P-1270306143 | 99 | Main component | in stock |
| P-893299660 | 95 | Main component | in stock |
| P-489223251 | 97 | Main component | in stock |
| P-596929058 | 99 | Main component | 5 g |
| P-1273255101 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273297467 | 95 | Main component | by resynthesis (? - ? days) |
| P-864152093 | 98 | Main component | in stock |
| P-871218427 | N/A | Main component | by resynthesis (? - ? days) |
| P-851278995 | 9 | Main component | by synthesis |
| P-861338395 | 95 | Main component | by synthesis |
| P-905409927 | 98 | Main component | 2 g |
| P-505538209 | 95 | Main component | in stock |
| P-596583848 | 95 | Main component | 10 mg |
| P-904060064 | 95 | Main component | by synthesis |
| P-854716529 | 95 | Main component | in stock |
| P-878646011 | 98 | Main component | in stock |
| P-892287637 | 95 | Main component | unavailable |
| P-869110806 | 95 | Main component | 122 mg |
| P-888628952 | 95 | Main component | 92 mg |
| P-906883643 | 99 | Main component | by synthesis |
| P-611427687 | 90 | Main component | in stock |
| P-1271578427 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 575.684 |
| logP | 5.2456 |
| H-bond acceptors | 11 |
| H-bond donors | 4 |
| Rotatable bonds | 8 |
| PSA | 157.82 |
| RO5 violations | 3 |
| RO3 violations | 6 |
| Refractivity | 167.0514 |
| Atoms | 74 |
| Rings | 5 |
| Heavy atoms | 41 |
| Hydrogen atoms | 33 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
