Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3681325044
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 | 26 USD | 98 | 16 working days | Get Quote |
| 5 mg | 42 USD | 98 | 16 working days | Get Quote |
| 10 mg | 58 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.
| Name | File |
|---|---|
| SDF | MCULE-3681325044.sdf |
| SMILES | MCULE-3681325044.smiles |
| Standard InChI | MCULE-3681325044.inchi |
| InChIKey | MCULE-3681325044.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867629000 | N/A | As is | in stock |
| P-875792924 | 98 | As is | in stock |
| P-613848413 | 98 | As is | by resynthesis (? - ? days) |
| P-903144318 | 98 | As is | 200 mg |
| P-1272346946 | 99 | As is | in stock |
| P-893571678 | 90 | As is | in stock |
| P-907313036 | N/A | As is | unavailable |
| P-1270328701 | 98 | As is | in stock |
| P-868816265 | N/A | As is | by synthesis |
| P-881102457 | 98 | As is | 200 mg |
| P-1273457876 | 95 | As is | by resynthesis (? - ? days) |
| P-889548281 | 95 | As is | in stock |
| P-907575027 | 98 | As is | in stock |
| P-590792845 | 99 | As is | by synthesis |
| P-901512362 | 95 | As is | by synthesis |
| P-6274116 | 90 | As is | 5 mg |
| P-674241810 | 90 | As is | 49 mg |
| P-20024053 | 90 | As is | in stock |
| P-34570368 | 90 | As is | by synthesis |
| P-579480094 | 95 | As is | in stock |
| P-901407603 | 98 | As is | 200 mg |
| P-503566692 | 90 | As is | by synthesis |
| P-492238332 | 95 | As is | in stock |
| P-502900572 | 90 | As is | in stock |
| P-1273110584 | 97 | As is | 100 mg |
| P-854721177 | 95 | As is | in stock |
| P-584619855 | 95 | As is | in stock |
| P-619673758 | 98 | As is | in stock |
| P-34122601 | 90 | As is | in stock |
| P-873283332 | N/A | As is | in stock |
| P-892298572 | 95 | As is | unavailable |
| P-594275650 | 95 | As is | 97 mg |
| P-888658213 | 95 | As is | 97 mg |
| P-22639887 | 90 | As is | in stock |
| P-873235996 | 90 | As is | in stock |
| P-888457989 | 94 | As is | by resynthesis (? - ? days) |
| P-906884227 | 98 | As is | by synthesis |
| P-574561 | 90 | As is | 798 mg |
| P-1279238769 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 449.549 |
| logP | 5.9413 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 124.78 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 122.5144 |
| Atoms | 50 |
| Rings | 4 |
| Heavy atoms | 31 |
| Hydrogen atoms | 19 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |
