Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3109797187
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 | 9 USD | 99 | 14 working days | Get Quote |
| 5 mg | 9 USD | 99 | 14 working days | Get Quote |
| 10 mg | 9 USD | 99 | 14 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.
-
MCULE-2223950605
- Component type: Main
-
MCULE-1770097932
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3109797187.sdf |
| SMILES | MCULE-3109797187.smiles |
| Standard InChI | MCULE-3109797187.inchi |
| InChIKey | MCULE-3109797187.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903061546 | 98 | As is | 40 g |
| P-905502048 | 97 | As is | by synthesis |
| P-893535995 | 90 | As is | 107.493 g |
| P-489127435 | 97 | As is | in stock |
| P-500414737 | 95 | As is | by synthesis |
| P-590627523 | 97 | As is | 35.7 g |
| P-890226269 | 99 | As is | by synthesis |
| P-878236295 | 95 | As is | by synthesis |
| P-868649546 | 97 | As is | in stock |
| P-861986970 | 95 | As is | 53.873 g |
| P-579617373 | 99 | As is | 25 g |
| P-852443303 | N/A | As is | in stock |
| P-896627820 | 95 | As is | by synthesis |
| P-854716469 | 95 | As is | in stock |
| P-871074476 | 95 | As is | in stock |
| P-878639721 | 98 | As is | in stock |
| P-1263957462 | 90 | As is | in stock |
| P-617403267 | N/A | As is | in stock |
| P-903033810 | 99 | As a main component | 50 g |
| P-893506850 | 90 | As a main component | 63.882 g |
| P-489130065 | 97 | As a main component | in stock |
| P-580700707 | 97 | As a main component | 133.25 g |
| P-900268232 | N/A | As a main component | by resynthesis (? - ? days) |
| P-452660669 | 98 | As a main component | in stock |
| P-851278280 | 95 | As a main component | by synthesis |
| P-868578684 | 98 | As a main component | in stock |
| P-579476719 | 95 | As a main component | in stock |
| P-579613708 | 98 | As a main component | 50 g |
| P-852458323 | N/A | As a main component | in stock |
| P-895305072 | 95 | As a main component | by synthesis |
| P-896627764 | 95 | As a main component | by synthesis |
| P-854716278 | 95 | As a main component | in stock |
| P-608272572 | 98 | As a main component | in stock |
| P-579710666 | N/A | As a main component | in stock |
| P-906782009 | 98 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 171.238 |
| logP | 2.2876 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 54.4517 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |
