MCULE-2149466528
- 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 | 18 USD | 98 | 20 working days | Get Quote |
| 5 mg | 18 USD | 98 | 20 working days | Get Quote |
| 10 mg | 18 USD | 98 | 20 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-2149466528.sdf |
| SMILES | MCULE-2149466528.smiles |
| Standard InChI | MCULE-2149466528.inchi |
| InChIKey | MCULE-2149466528.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867581497 | 95 | As is | in stock |
| P-875739283 | 95 | As is | in stock |
| P-590419114 | 95 | As is | by resynthesis (? - ? days) |
| P-903069837 | 98 | As is | 20 g |
| P-905480498 | 95 | As is | 1000 mg |
| P-893532927 | 90 | As is | 92.2 g |
| P-1270297958 | 98 | As is | in stock |
| P-901180763 | N/A | As is | in stock |
| P-597007962 | 98 | As is | 20 g |
| P-1273461375 | 95 | As is | by resynthesis (? - ? days) |
| P-864111775 | 95 | As is | in stock |
| P-619928346 | 90 | As is | by synthesis |
| P-436445802 | 95 | As is | in stock |
| P-580303610 | 95 | As is | by resynthesis (? - ? days) |
| P-901406912 | 98 | As is | 20 g |
| P-500178196 | 96 | As is | in stock |
| P-563389765 | 95 | As is | 1000 mg |
| P-608082355 | 95 | As is | in stock |
| P-852404692 | N/A | As is | by synthesis |
| P-867944475 | 95 | As is | in stock |
| P-888893266 | N/A | As is | in stock |
| P-500396029 | 98 | As is | by synthesis |
| P-491079379 | 95 | As is | by synthesis |
| P-502358359 | 90 | As is | in stock |
| P-906907157 | 95 | As is | in stock |
| P-855346099 | 90 | As is | in stock |
| P-1271715531 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 174.159 |
| logP | 0.6792 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 71.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 45.0012 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |

