MCULE-1620621127
- 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 | 24 USD | 99 | 15 working days | Get Quote |
| 5 mg | 50 USD | 95 | 7 working days | Get Quote |
| 10 mg | 82 USD | 95 | 7 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.
| Name | File |
|---|---|
| SDF | MCULE-1620621127.sdf |
| SMILES | MCULE-1620621127.smiles |
| Standard InChI | MCULE-1620621127.inchi |
| InChIKey | MCULE-1620621127.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867680151 | 95 | As is | in stock |
| P-875858951 | N/A | As is | in stock |
| P-869369709 | 95 | As is | in stock |
| P-903312362 | 95 | As is | 100 mg |
| P-1264052950 | 95 | As is | in stock |
| P-1264052951 | 95 | As is | in stock |
| P-1264052952 | 95 | As is | in stock |
| P-893604942 | 90 | As is | 605 mg |
| P-893520990 | 90 | As is | 82.542 g |
| P-893520995 | 90 | As is | 17.814 g |
| P-851775295 | N/A | As is | by synthesis |
| P-851953384 | N/A | As is | in stock |
| P-895106546 | 98 | As is | 10 mg |
| P-864178997 | 95 | As is | in stock |
| P-872696670 | 95 | As is | in stock |
| P-868545485 | 99 | As is | in stock |
| P-872718455 | 99 | As is | 1.012 g |
| P-591086873 | 98 | As is | by synthesis |
| P-901502669 | 95 | As is | by synthesis |
| P-901563078 | 95 | As is | by synthesis |
| P-851312899 | 95 | As is | by synthesis |
| P-851312901 | 95 | As is | by synthesis |
| P-851312900 | 95 | As is | by synthesis |
| P-861286163 | 98 | As is | in stock |
| P-868571005 | 98 | As is | in stock |
| P-579482281 | 95 | As is | in stock |
| P-579482263 | 95 | As is | in stock |
| P-675215196 | 95 | As is | in stock |
| P-855925057 | 95 | As is | 50 mg |
| P-854713988 | 95 | As is | in stock |
| P-904368959 | 95 | As is | in stock |
| P-888170039 | 98 | As is | by synthesis |
| P-888170040 | 98 | As is | by synthesis |
| P-620945870 | N/A | As is | in stock |
| P-869108796 | 95 | As is | by synthesis |
| P-892214443 | 95 | As is | by synthesis |
| P-869163027 | 95 | As is | by synthesis |
| P-892298833 | 95 | As is | unavailable |
| P-892287065 | 95 | As is | unavailable |
| P-892287066 | 95 | As is | unavailable |
| P-888658455 | 95 | As is | 151 mg |
| P-888627634 | 95 | As is | 150 mg |
| P-892310765 | 95 | As is | 100 mg |
| P-906798819 | 95 | As is | by synthesis |
| P-611359962 | 90 | As is | in stock |
| P-893677832 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 430.833 |
| logP | 3.7715 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 69.56 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 117.523 |
| Atoms | 47 |
| Rings | 4 |
| Heavy atoms | 30 |
| Hydrogen atoms | 17 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |

