MCULE-4932723923
- 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 | 71 USD | 95 | 10 working days | Get Quote |
| 5 mg | 78 USD | 95 | 34 working days | Get Quote |
| 10 mg | 78 USD | 95 | 34 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-6138820992
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4932723923.sdf |
| SMILES | MCULE-4932723923.smiles |
| Standard InChI | MCULE-4932723923.inchi |
| InChIKey | MCULE-4932723923.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892857116 | 97 | As is | in stock |
| P-901188057 | N/A | As is | by synthesis |
| P-597024874 | 95 | As is | in stock |
| P-590392932 | 97 | As is | in stock |
| P-903092751 | 97 | As is | 2 g |
| P-893480067 | 90 | As is | 39.3 g |
| P-580241142 | 95 | As is | by synthesis |
| P-851477094 | N/A | As is | by synthesis |
| P-489140088 | 97 | As is | in stock |
| P-892188927 | 97 | As is | 2 g |
| P-579786669 | 95 | As is | by resynthesis (? - ? days) |
| P-864087952 | 97 | As is | in stock |
| P-590836552 | 95 | As is | by synthesis |
| P-851243671 | 95 | As is | by synthesis |
| P-861550887 | 95 | As is | by synthesis |
| P-580291871 | N/A | As is | by resynthesis (? - ? days) |
| P-502557305 | 95 | As is | by synthesis |
| P-454343744 | 90 | As is | unavailable |
| P-18794677 | 95 | As is | 4.622 g |
| P-454383631 | 95 | As is | 4.622 g |
| P-563453350 | 97 | As is | 1000 mg |
| P-580468349 | N/A | As is | by synthesis |
| P-852495971 | N/A | As is | in stock |
| P-854808298 | 95 | As is | by synthesis |
| P-491189029 | 95 | As is | by synthesis |
| P-906868637 | 97 | As is | by synthesis |
| P-611582809 | 90 | As is | in stock |
| P-575302233 | 95 | As is | in stock |
| P-904596469 | 95 | As a main component | in stock |
| P-851492463 | N/A | As a main component | by synthesis |
| P-864257783 | 95 | As a main component | by synthesis |
| P-590771785 | 95 | As a main component | by synthesis |
| P-454405094 | 95 | As a main component | 1.341 g |
| P-895623809 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 185.649 |
| logP | 2.4225 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 46.25 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 49.9012 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

