MCULE-9604339855
- 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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-3857746542
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9604339855.sdf |
| SMILES | MCULE-9604339855.smiles |
| Standard InChI | MCULE-9604339855.inchi |
| InChIKey | MCULE-9604339855.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869182787 | 98 | Main component | in stock |
| P-579779029 | 99 | Main component | in stock |
| P-865621661 | 95 | Main component | by synthesis |
| P-489163200 | 97 | Main component | in stock |
| P-868608884 | 98 | Main component | in stock |
| P-580419596 | 95 | Main component | by resynthesis (? - ? days) |
| P-889116081 | 95 | Main component | 100 g |
| P-579616068 | 98 | Main component | 3 kg |
| P-856041367 | 90 | Main component | 10 g |
| P-31274682 | 90 | Main component | 10 g |
| P-613284773 | 95 | Main component | by synthesis |
| P-580465862 | N/A | Main component | by synthesis |
| P-852504866 | N/A | Main component | in stock |
| P-428001712 | 95 | Main component | 7.989 kg |
| P-621857821 | 90 | Main component | by synthesis |
| P-620223941 | 95 | Main component | 1000 mg |
| P-26433484 | 90 | Main component | 1000 mg |
| P-885559303 | 95 | Main component | by synthesis |
| P-424895451 | 90 | Main component | in stock |
| P-855011140 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 129.586 |
| logP | -2.1869 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 14.14 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 37.0627 |
| Atoms | 16 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 8 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |

