Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7512792589-0
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-1389248075-0
- Component type: Main
-
MCULE-7744406566-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7512792589-0.sdf |
| SMILES | MCULE-7512792589-0.smiles |
| Standard InChI | MCULE-7512792589-0.inchi |
| InChIKey | MCULE-7512792589-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1266221845 | 98 | As is | in stock |
| P-505391320 | 95 | As is | by resynthesis (? - ? days) |
| P-851500567 | N/A | As is | by synthesis |
| P-1272002499 | 98 | As is | 100 mg |
| P-1274827828 | 95 | As is | by resynthesis (? - ? days) |
| P-1275488406 | 95 | As is | in stock |
| P-504649045 | 90 | As is | 5 mg |
| P-899783402 | 97 | As is | 5 mg |
| P-892254578 | 95 | As is | unavailable |
| P-892339239 | 95 | As is | unavailable |
| P-1270540364 | N/A | As a main component | by synthesis |
| P-867677129 | 95 | As a main component | in stock |
| P-1275180807 | 98 | As a main component | in stock |
| P-1275191908 | 98 | As a main component | in stock |
| P-1273289566 | 95 | As a main component | by resynthesis (? - ? days) |
| P-870661149 | 99 | As a main component | in stock |
| P-505500653 | 95 | As a main component | in stock |
| P-488555467 | 92 | As a main component | in stock |
| P-1273108644 | 98 | As a main component | 100 mg |
| P-13792475 | 92 | As a main component | 300 mg |
| P-889869105 | 95 | As a main component | by synthesis |
| P-869126263 | 95 | As a main component | unavailable |
| P-888639668 | 95 | As a main component | unavailable |
| P-611434061 | 90 | As a main component | in stock |
| P-855241440 | 90 | As a main component | in stock |
| P-855067113 | 90 | As a main component | in stock |
| P-617773612 | 90 | As a main component | 127 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 278.391 |
| logP | 3.8554 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 16.13 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 92.513 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 22 |
| 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 |
