MCULE-4803157505
- 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 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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-3326131606
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4803157505.sdf |
| SMILES | MCULE-4803157505.smiles |
| Standard InChI | MCULE-4803157505.inchi |
| InChIKey | MCULE-4803157505.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867668392 | 95 | As is | in stock |
| P-875842579 | N/A | As is | in stock |
| P-615716486 | 95 | As is | in stock |
| P-851596926 | N/A | As is | by synthesis |
| P-901350784 | 95 | As is | by synthesis |
| P-590926632 | 95 | As is | by synthesis |
| P-492250325 | 95 | As is | in stock |
| P-872447189 | 90 | As is | 50 mg |
| P-619926681 | 90 | As is | by synthesis |
| P-454754921 | 90 | As is | in stock |
| P-436453322 | 95 | As is | 43 g |
| P-861538804 | 95 | As is | by synthesis |
| P-34805460 | 90 | As is | in stock |
| P-580775136 | 90 | As is | by resynthesis (? - ? days) |
| P-580764621 | 90 | As is | in stock |
| P-590341771 | 90 | As is | 14 g |
| P-890219298 | 90 | As is | in stock |
| P-492244649 | 95 | As is | in stock |
| P-855971977 | 95 | As is | 5 g |
| P-579664056 | 95 | As is | by resynthesis (? - ? days) |
| P-500223203 | 96 | As is | in stock |
| P-613277446 | 95 | As is | by synthesis |
| P-580504950 | 95 | As is | by synthesis |
| P-852407151 | N/A | As is | in stock |
| P-854859954 | 95 | As is | by synthesis |
| P-856063528 | 95 | As is | in stock |
| P-19522663 | 90 | As is | in stock |
| P-33464978 | 90 | As is | in stock |
| P-502341639 | 90 | As is | in stock |
| P-611562750 | 90 | As is | in stock |
| P-893675709 | 95 | As is | by synthesis |
| P-905601774 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 139.198 |
| logP | 0.8388 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 29.85 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.0297 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 13 |
| 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 |

