MCULE-1762458073
- 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 | 48 USD | 90 | 21 working days | Get Quote |
| 5 mg | 71 USD | 98 | 27 working days | Get Quote |
| 10 mg | 71 USD | 98 | 27 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-3179170316
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1762458073.sdf |
| SMILES | MCULE-1762458073.smiles |
| Standard InChI | MCULE-1762458073.inchi |
| InChIKey | MCULE-1762458073.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867551304 | 95 | As is | in stock |
| P-875709213 | 95 | As is | in stock |
| P-590419077 | 98 | As is | by resynthesis (? - ? days) |
| P-903035394 | 95 | As is | 1000 mg |
| P-904312715 | 90 | As is | unavailable |
| P-851629602 | N/A | As is | by synthesis |
| P-889849170 | 95 | As is | by synthesis |
| P-590959346 | 95 | As is | by synthesis |
| P-901530266 | 95 | As is | by synthesis |
| P-34891246 | 90 | As is | in stock |
| P-890204104 | 90 | As is | in stock |
| P-579483614 | 90 | As is | 833 mg |
| P-454386689 | 95 | As is | 522 mg |
| P-18796903 | 95 | As is | 522 mg |
| P-856013663 | 90 | As is | unavailable |
| P-25757649 | 90 | As is | 85 mg |
| P-852378089 | N/A | As is | by synthesis |
| P-854864190 | 95 | As is | by synthesis |
| P-859956096 | 95 | As is | by synthesis |
| P-519877971 | 90 | As is | in stock |
| P-502374096 | 90 | As is | in stock |
| P-22516022 | 90 | As is | 100 mg |
| P-611381463 | 90 | As is | in stock |
| P-575304259 | 97 | As is | in stock |
| P-851693054 | N/A | As a main component | by synthesis |
| P-611195261 | 90 | As a main component | by synthesis |
| P-856003195 | 90 | As a main component | 111 mg |
| P-1279368904 | 90 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 176.240 |
| logP | 2.5349 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 52.81 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.9537 |
| Atoms | 20 |
| Rings | 2 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |

