Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1495250593
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 | 54 USD | N/A | 47 working days | Get Quote |
| 5 mg | 54 USD | N/A | 47 working days | Get Quote |
| 10 mg | 54 USD | N/A | 47 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-3174172565
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1495250593.sdf |
| SMILES | MCULE-1495250593.smiles |
| Standard InChI | MCULE-1495250593.inchi |
| InChIKey | MCULE-1495250593.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867610116 | 98 | As is | in stock |
| P-875769601 | N/A | As is | in stock |
| P-590409956 | 95 | As is | in stock |
| P-903108595 | 95 | As is | 5 g |
| P-610979023 | 90 | As is | 38.2 g |
| P-851947606 | N/A | As is | in stock |
| P-489171855 | 97 | As is | in stock |
| P-596993824 | 95 | As is | 8 g |
| P-864114903 | 95 | As is | in stock |
| P-878240114 | 98 | As is | in stock |
| P-577180284 | 90 | As is | by synthesis |
| P-851287479 | 95 | As is | by synthesis |
| P-868594715 | 98 | As is | in stock |
| P-580307122 | 95 | As is | by resynthesis (? - ? days) |
| P-905312602 | 95 | As is | in stock |
| P-454287132 | 90 | As is | 561 mg |
| P-889737510 | 95 | As is | 10 g |
| P-854793096 | 95 | As is | by synthesis |
| P-889881783 | 95 | As is | by synthesis |
| P-519923141 | 90 | As is | in stock |
| P-611371999 | 90 | As is | in stock |
| P-615454125 | 95 | As is | in stock |
| P-867655286 | 98 | As a main component | in stock |
| P-875823290 | N/A | As a main component | in stock |
| P-869248039 | 95 | As a main component | in stock |
| P-903187107 | 97 | As a main component | 250 mg |
| P-492323952 | 95 | As a main component | in stock |
| P-893509893 | 90 | As a main component | 5.25 g |
| P-1264205735 | N/A | As a main component | by synthesis |
| P-596933592 | 97 | As a main component | 250 mg |
| P-864158674 | 95 | As a main component | in stock |
| P-1264195459 | 97 | As a main component | by synthesis |
| P-868572272 | 98 | As a main component | in stock |
| P-524189696 | 97 | As a main component | 250 mg |
| P-615655721 | 95 | As a main component | in stock |
| P-854793097 | 95 | As a main component | by synthesis |
| P-889880591 | 95 | As a main component | by synthesis |
| P-667021453 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 215.214 |
| logP | 3.4587 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.4337 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 12 |
| Heteroatoms | 4 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
