MCULE-2669734404
- 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 | 89 USD | 90 | 17 working days | Get Quote |
| 5 mg | 97 USD | 90 | 17 working days | Get Quote |
| 10 mg | 137 USD | 90 | 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.
-
1
MCULE-6865452947
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2669734404.sdf |
| SMILES | MCULE-2669734404.smiles |
| Standard InChI | MCULE-2669734404.inchi |
| InChIKey | MCULE-2669734404.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867463995 | N/A | As is | by synthesis |
| P-615721947 | 95 | As is | in stock |
| P-851635034 | N/A | As is | by synthesis |
| P-590959878 | 95 | As is | by synthesis |
| P-874585455 | 90 | As is | 260 mg |
| P-888184283 | 90 | As is | in stock |
| P-852421841 | N/A | As is | in stock |
| P-869079116 | 95 | As is | by synthesis |
| P-675097531 | 90 | As is | in stock |
| P-907173479 | 94 | As is | by resynthesis (? - ? days) |
| P-867433698 | N/A | Main component | by synthesis |
| P-904620301 | 95 | Main component | in stock |
| P-851864139 | N/A | Main component | by synthesis |
| P-864252039 | 95 | Main component | by synthesis |
| P-591146182 | 95 | Main component | by synthesis |
| P-895605257 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 240.727 |
| logP | 2.3603 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 46.33 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 70.1714 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |

