Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7568109044
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 | 7 USD | 98 | 20 working days | Get Quote |
| 5 mg | 7 USD | 98 | 20 working days | Get Quote |
| 10 mg | 7 USD | 98 | 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-7568109044.sdf |
| SMILES | MCULE-7568109044.smiles |
| Standard InChI | MCULE-7568109044.inchi |
| InChIKey | MCULE-7568109044.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867577246 | 98 | As is | in stock |
| P-867673639 | 97 | As is | in stock |
| P-505388494 | 98 | As is | in stock |
| P-893571315 | 90 | As is | 44.286 g |
| P-907316148 | 95 | As is | by synthesis |
| P-580197369 | 95 | As is | 5 g |
| P-580232853 | 95 | As is | by synthesis |
| P-851933328 | N/A | As is | in stock |
| P-606874937 | N/A | As is | in stock |
| P-596951594 | 98 | As is | 400 g |
| P-865928878 | 97 | As is | 125 g |
| P-494418724 | 95 | As is | by resynthesis (? - ? days) |
| P-864122968 | 95 | As is | in stock |
| P-889744204 | 95 | As is | 7 g |
| P-901417278 | 95 | As is | by synthesis |
| P-893233768 | 95 | As is | in stock |
| P-577180064 | 90 | As is | by synthesis |
| P-436453998 | 95 | As is | 102 g |
| P-19979835 | 90 | As is | in stock |
| P-34502852 | 90 | As is | in stock |
| P-580272671 | 95 | As is | by resynthesis (? - ? days) |
| P-862053652 | 99 | As is | 601.568 g |
| P-889116913 | 99 | As is | 11 g |
| P-905349873 | 99 | As is | 10 g |
| P-870656237 | N/A | As is | in stock |
| P-502552058 | 95 | As is | by synthesis |
| P-454327896 | 90 | As is | 100 mg |
| P-615638372 | 95 | As is | in stock |
| P-613276475 | 95 | As is | by synthesis |
| P-579723559 | 90 | As is | in stock |
| P-888164156 | 90 | As is | in stock |
| P-424032267 | 90 | As is | 1.2 g |
| P-617690364 | 90 | As is | 1.2 g |
| P-888842249 | N/A | As is | by synthesis |
| P-885524609 | 95 | As is | by synthesis |
| P-23892632 | 90 | As is | in stock |
| P-873286888 | N/A | As is | in stock |
| P-896077407 | N/A | As is | 37.695 g |
| P-596781887 | 98 | As is | 262 g |
| P-22690645 | 90 | As is | in stock |
| P-502329343 | 90 | As is | in stock |
| P-888498693 | 94 | As is | by resynthesis (? - ? days) |
| P-906902740 | 98 | As is | in stock |
| P-611435848 | 90 | As is | in stock |
| P-855249347 | 90 | As is | in stock |
| P-1402372 | 90 | As is | 1.418 g |
| P-3230447 | 90 | As is | 1.418 g |
| P-868521728 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 162.185 |
| logP | 2.0928 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 37.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.0778 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
