Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3751575544
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 | 20 USD | 97 | 20 working days | Get Quote |
| 5 mg | 20 USD | 97 | 20 working days | Get Quote |
| 10 mg | 20 USD | 97 | 20 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-3751575544.sdf |
| SMILES | MCULE-3751575544.smiles |
| Standard InChI | MCULE-3751575544.inchi |
| InChIKey | MCULE-3751575544.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867621835 | 97 | As is | in stock |
| P-875783696 | N/A | As is | in stock |
| P-590369049 | 97 | As is | in stock |
| P-903131673 | 97 | As is | 20 g |
| P-893570513 | 90 | As is | 20 g |
| P-606893956 | N/A | As is | in stock |
| P-489191424 | 97 | As is | in stock |
| P-865917760 | 97 | As is | 25 g |
| P-596512705 | 90 | As is | 1000 mg |
| P-596367970 | 90 | As is | 1000 mg |
| P-864086312 | 97 | As is | in stock |
| P-454723334 | 90 | As is | in stock |
| P-436466006 | 95 | As is | in stock |
| P-901649535 | 97 | As is | in stock |
| P-580271623 | 95 | As is | by resynthesis (? - ? days) |
| P-492217616 | 95 | As is | in stock |
| P-563443374 | 97 | As is | 10 g |
| P-870639277 | 97 | As is | 279 mg |
| P-888160012 | 95 | As is | by synthesis |
| P-852446975 | N/A | As is | in stock |
| P-854808575 | 95 | As is | by synthesis |
| P-889878327 | 95 | As is | by synthesis |
| P-873282090 | N/A | As is | in stock |
| P-23325530 | 90 | As is | in stock |
| P-502352797 | 90 | As is | in stock |
| P-903644844 | 94 | As is | by resynthesis (? - ? days) |
| P-903643223 | 94 | As is | by resynthesis (? - ? days) |
| P-906808883 | 97 | As is | by synthesis |
| P-611380903 | 90 | As is | in stock |
| P-588839676 | N/A | As is | by synthesis |
| P-872755842 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 275.728 |
| logP | 3.5159 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 38.33 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 76.5297 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
