MCULE-1077745941
- 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 | 36 USD | 95 | 10 working days | Get Quote |
| 5 mg | 36 USD | 95 | 10 working days | Get Quote |
| 10 mg | 36 USD | 95 | 10 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-1589117542
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1077745941.sdf |
| SMILES | MCULE-1077745941.smiles |
| Standard InChI | MCULE-1077745941.inchi |
| InChIKey | MCULE-1077745941.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886637451 | 95 | As is | in stock |
| P-889937375 | N/A | As is | by synthesis |
| P-904618517 | 95 | As is | in stock |
| P-903183303 | 95 | As is | 1000 mg |
| P-851563959 | N/A | As is | by synthesis |
| P-889501780 | 95 | As is | by synthesis |
| P-861389797 | 95 | As is | by synthesis |
| P-492215744 | 95 | As is | in stock |
| P-869091952 | 95 | As is | by synthesis |
| P-888359765 | 94 | As is | by resynthesis (? - ? days) |
| P-611559621 | 90 | As is | in stock |
| P-893791882 | 95 | As is | by synthesis |
| P-867668548 | 95 | As a main component | in stock |
| P-875842837 | N/A | As a main component | in stock |
| P-904504565 | 95 | As a main component | in stock |
| P-892453963 | 90 | As a main component | 606 mg |
| P-611095171 | 95 | As a main component | by synthesis |
| P-492250765 | 95 | As a main component | in stock |
| P-868569914 | 95 | As a main component | in stock |
| P-855949877 | 95 | As a main component | 5 g |
| P-864063883 | 95 | As a main component | by synthesis |
| P-675080265 | 90 | As a main component | in stock |
| P-873214464 | 90 | As a main component | in stock |
| P-617741462 | 90 | As a main component | 182 mg |
| P-893663190 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 125.172 |
| logP | 1.4439 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 54.7 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 37.7311 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |

