MCULE-3022665802
- 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 | 49 USD | 90 | 21 working days | Get Quote |
| 5 mg | 79 USD | 90 | 21 working days | Get Quote |
| 10 mg | 91 USD | N/A | 35 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-3022665802.sdf |
| SMILES | MCULE-3022665802.smiles |
| Standard InChI | MCULE-3022665802.inchi |
| InChIKey | MCULE-3022665802.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867292568 | 97 | As is | by synthesis |
| P-901185926 | N/A | As is | by synthesis |
| P-615722754 | 97 | As is | in stock |
| P-903062467 | 95 | As is | 5 g |
| P-489241518 | 97 | As is | in stock |
| P-596271253 | 90 | As is | 1000 mg |
| P-596481124 | 90 | As is | 1000 mg |
| P-901478534 | 95 | As is | by synthesis |
| P-851257154 | 95 | As is | by synthesis |
| P-580432994 | 95 | As is | by resynthesis (? - ? days) |
| P-563666000 | 97 | As is | 1000 mg |
| P-852403263 | N/A | As is | in stock |
| P-854910660 | 95 | As is | by synthesis |
| P-12392271 | 90 | As is | 19.698 g |
| P-492274610 | 97 | As is | 19.698 g |
| P-23544325 | 90 | As is | unavailable |
| P-502348493 | 90 | As is | in stock |
| P-23111189 | 94 | As is | by resynthesis (? - ? days) |
| P-611580812 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 181.231 |
| logP | 1.3389 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 41.49 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.4775 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |

