MCULE-2162040926
- 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 | 38 USD | 95 | 7 working days | Get Quote |
| 5 mg | 38 USD | 95 | 7 working days | Get Quote |
| 10 mg | 75 USD | 95 | 7 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-7450797403
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2162040926.sdf |
| SMILES | MCULE-2162040926.smiles |
| Standard InChI | MCULE-2162040926.inchi |
| InChIKey | MCULE-2162040926.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867634527 | 98 | As is | in stock |
| P-875799575 | N/A | As is | in stock |
| P-903153642 | 98 | As is | 500 mg |
| P-904320185 | 90 | As is | 1.226 g |
| P-881102670 | N/A | As is | 400 mg |
| P-889498235 | 95 | As is | by synthesis |
| P-901415654 | 95 | As is | by synthesis |
| P-893235925 | 95 | As is | in stock |
| P-887189131 | 95 | As is | by synthesis |
| P-524167073 | 95 | As is | 100 mg |
| P-1263155380 | 95 | As is | by synthesis |
| P-854713877 | 95 | As is | in stock |
| P-871074201 | 95 | As is | in stock |
| P-596870300 | 95 | As is | by synthesis |
| P-892219648 | 95 | As is | by synthesis |
| P-904244935 | 95 | As is | unavailable |
| P-892314193 | 95 | As is | 15 mg |
| P-906839108 | 98 | As is | by synthesis |
| P-611418023 | 90 | As is | in stock |
| P-868527568 | 95 | As is | in stock |
| P-872801589 | 98 | As a main component | by synthesis |
| P-889929245 | N/A | As a main component | by synthesis |
| P-894624086 | 95 | As a main component | in stock |
| P-903156999 | 98 | As a main component | 250 mg |
| P-889849728 | 95 | As a main component | by synthesis |
| P-580300776 | 95 | As a main component | by resynthesis (? - ? days) |
| P-854704172 | 95 | As a main component | by synthesis |
| P-871074202 | 95 | As a main component | in stock |
| P-855066695 | 90 | As a main component | in stock |
| P-894007697 | 95 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 229.317 |
| logP | 3.2621 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 32.26 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 72.1055 |
| Atoms | 36 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 19 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |

