MCULE-9910224673
- 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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-3039628476
- Component type: Main
-
MCULE-2397450409
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9910224673.sdf |
| SMILES | MCULE-9910224673.smiles |
| Standard InChI | MCULE-9910224673.inchi |
| InChIKey | MCULE-9910224673.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1264050876 | 98 | As is | in stock |
| P-1264059531 | 98 | As is | in stock |
| P-452661242 | 98 | As is | in stock |
| P-474023232 | 95 | As is | in stock |
| P-888171904 | 98 | As is | by synthesis |
| P-579711021 | 98 | As is | in stock |
| P-1264047794 | 99 | As a main component | in stock |
| P-489108786 | 97 | As a main component | in stock |
| P-851250695 | 95 | As a main component | by synthesis |
| P-852523674 | 95 | As a main component | by synthesis |
| P-608279935 | 98 | As a main component | in stock |
| P-1263957386 | 90 | As a main component | in stock |
| P-579711020 | 98 | As a main component | in stock |
| P-579711419 | 98 | As a main component | in stock |
| P-867673444 | 98 | As an isomer | in stock |
| P-875847710 | 98 | As an isomer | in stock |
| P-1275178083 | 98 | As an isomer | in stock |
| P-872724293 | 98 | As an isomer | in stock |
| P-903225580 | 95 | As an isomer | 35 g |
| P-893302066 | 95 | As an isomer | in stock |
| P-489113696 | 97 | As an isomer | in stock |
| P-864195980 | 95 | As an isomer | in stock |
| P-901415948 | 95 | As an isomer | by synthesis |
| P-893229189 | 95 | As an isomer | in stock |
| P-851268323 | 95 | As an isomer | by synthesis |
| P-500417452 | 98 | As an isomer | in stock |
| P-870660544 | N/A | As an isomer | in stock |
| P-505493283 | 95 | As an isomer | in stock |
| P-492243864 | 95 | As an isomer | in stock |
| P-855915671 | 97 | As an isomer | 10 mg |
| P-596548675 | 97 | As an isomer | 984 mg |
| P-579625773 | 98 | As an isomer | in stock |
| P-31179530 | 90 | As an isomer | 2 g |
| P-584618120 | 95 | As an isomer | in stock |
| P-608274891 | 98 | As an isomer | in stock |
| P-500383079 | 98 | As an isomer | by synthesis |
| P-579711022 | 98 | As an isomer | in stock |
| P-1274332398 | 95 | As an isomer | unavailable |
| P-464627848 | 95 | As an isomer | 6.759 g |
| P-1274352825 | 95 | As an isomer | 6.759 g |
| P-33162941 | 90 | As an isomer | 1000 mg |
| P-854973064 | 90 | As an isomer | in stock |
| P-855007917 | 90 | As an isomer | in stock |
| P-855007919 | 90 | As an isomer | in stock |
| P-855007920 | 90 | As an isomer | in stock |
| P-854967489 | 90 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 183.204 |
| logP | 0.7415 |
| H-bond acceptors | 4 |
| H-bond donors | 4 |
| Rotatable bonds | 3 |
| PSA | 72.72 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 49.0315 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |

