Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-1791579915-0
Structure
Show compound
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 | 17 USD | 98 | 20 working days | Get Quote |
| 5 mg | 17 USD | 98 | 20 working days | Get Quote |
| 10 mg | 17 USD | 98 | 20 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-3680972797-0
- Component type: Main
-
MCULE-9275386792-0
- Component type: Main
-
MCULE-9857099751-0
- Component type: Main
-
MCULE-5703509706-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1791579915-0.sdf |
| SMILES | MCULE-1791579915-0.smiles |
| Standard InChI | MCULE-1791579915-0.inchi |
| InChIKey | MCULE-1791579915-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867644013 | 98 | As a main component | in stock |
| P-1274636285 | 95 | As a main component | in stock |
| P-875801728 | 95 | As a main component | in stock |
| P-875810516 | 98 | As a main component | in stock |
| P-1275171213 | 97 | As a main component | in stock |
| P-1275165213 | 95 | As a main component | in stock |
| P-1270317767 | 95 | As a main component | in stock |
| P-1270300377 | 95 | As a main component | in stock |
| P-867710572 | N/A | As a main component | in stock |
| P-904026312 | N/A | As a main component | in stock |
| P-606860342 | N/A | As a main component | in stock |
| P-888816688 | 95 | As a main component | 95 g |
| P-1271958835 | 98 | As a main component | 25 g |
| P-1271967977 | 95 | As a main component | 35 g |
| P-896029840 | 95 | As a main component | in stock |
| P-905462275 | 95 | As a main component | in stock |
| P-864131907 | 95 | As a main component | in stock |
| P-901460310 | 95 | As a main component | by synthesis |
| P-611498476 | 90 | As a main component | in stock |
| P-1271674880 | 95 | As a main component | in stock |
| P-1271694734 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 370.441 |
| logP | 4.245 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 13 |
| PSA | 90.65 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 102.8191 |
| Atoms | 53 |
| Rings | 2 |
| Heavy atoms | 27 |
| Hydrogen atoms | 26 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
