Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1797979829
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 | 46 USD | 95 | 12 working days | Get Quote |
| 5 mg | 59 USD | 98 | 22 working days | Get Quote |
| 10 mg | 102 USD | 98 | 22 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.
-
MCULE-3327786114
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1797979829.sdf |
| SMILES | MCULE-1797979829.smiles |
| Standard InChI | MCULE-1797979829.inchi |
| InChIKey | MCULE-1797979829.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867553227 | 98 | As is | in stock |
| P-875711647 | 98 | As is | in stock |
| P-869285002 | 95 | As is | by resynthesis (? - ? days) |
| P-895094037 | 95 | As is | 100 mg |
| P-1274815140 | 95 | As is | by resynthesis (? - ? days) |
| P-1275489017 | 95 | As is | in stock |
| P-901447257 | 95 | As is | by synthesis |
| P-868660673 | 95 | As is | in stock |
| P-675215379 | 95 | As is | in stock |
| P-1272503362 | 95 | As is | by synthesis |
| P-874445526 | 95 | As is | in stock |
| P-474022425 | 95 | As is | in stock |
| P-888170081 | 98 | As is | by synthesis |
| P-1271591314 | 95 | As is | in stock |
| P-892898329 | N/A | As a main component | in stock |
| P-1265982998 | N/A | As a main component | in stock |
| P-893606926 | 90 | As a main component | 1.5 g |
| P-904995621 | N/A | As a main component | by synthesis |
| P-895116474 | N/A | As a main component | 500 mg |
| P-1273259820 | 95 | As a main component | by resynthesis (? - ? days) |
| P-907564328 | 95 | As a main component | by synthesis |
| P-888622248 | 95 | As a main component | 1 mg |
| P-896625588 | 95 | As a main component | by synthesis |
| P-888174206 | 98 | As a main component | by synthesis |
| P-892292379 | 95 | As a main component | unavailable |
| P-869137305 | 95 | As a main component | 1.493 g |
| P-888645160 | 95 | As a main component | 1.488 g |
| P-1271626464 | 99 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 393.503 |
| logP | 4.5657 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 95.44 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 109.8574 |
| Atoms | 51 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 23 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
