MCULE-4369489793
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 47 USD | 95 | 8 working days | Get Quote |
| 10 mg | 47 USD | 95 | 8 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-1950125896
- Component type: Main
-
MCULE-1305174216
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4369489793.sdf |
| SMILES | MCULE-4369489793.smiles |
| Standard InChI | MCULE-4369489793.inchi |
| InChIKey | MCULE-4369489793.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1263872390 | 90 | As is | by synthesis |
| P-904745947 | N/A | As is | by synthesis |
| P-905610273 | 95 | As is | by synthesis |
| P-901527409 | 95 | As is | by synthesis |
| P-887156451 | 95 | As is | by synthesis |
| P-854804674 | 95 | As is | by synthesis |
| P-23967910 | 90 | As is | in stock |
| P-502358938 | 90 | As is | in stock |
| P-23194574 | 94 | As is | by resynthesis (? - ? days) |
| P-1577511 | 90 | As is | 13 mg |
| P-867620964 | 95 | As a main component | in stock |
| P-875782918 | N/A | As a main component | in stock |
| P-904513992 | 95 | As a main component | in stock |
| P-590365390 | 95 | As a main component | in stock |
| P-903129605 | 95 | As a main component | 500 mg |
| P-893596016 | 90 | As a main component | 4 g |
| P-851917448 | N/A | As a main component | by synthesis |
| P-606842186 | N/A | As a main component | in stock |
| P-864156256 | 95 | As a main component | in stock |
| P-580703994 | 95 | As a main component | 250 mg |
| P-611146773 | 95 | As a main component | by synthesis |
| P-584596827 | 95 | As a main component | in stock |
| P-617325939 | 90 | As a main component | in stock |
| P-861340361 | 95 | As a main component | by synthesis |
| P-524185754 | 95 | As a main component | 5 g |
| P-852408010 | N/A | As a main component | in stock |
| P-864007310 | 95 | As a main component | by synthesis |
| P-895554699 | 95 | As a main component | by synthesis |
| P-888888677 | N/A | As a main component | in stock |
| P-596787625 | 95 | As a main component | 11.25 g |
| P-906818447 | 97 | As a main component | by synthesis |
| P-906851350 | 98 | As a main component | by synthesis |
| P-906883157 | 98 | As a main component | by synthesis |
| P-906814938 | 97 | As a main component | by synthesis |
| P-906809460 | 97 | As a main component | by synthesis |
| P-611588984 | 90 | As a main component | in stock |
| P-893980891 | 95 | As a main component | in stock |
| P-615410519 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 192.282 |
| logP | 1.3357 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 66.58 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 52.1314 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 16 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |

