MCULE-1993918519
- 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 | 116 USD | 90 | 30 working days | Get Quote |
| 5 mg | 127 USD | N/A | 17 working days | Get Quote |
| 10 mg | 127 USD | N/A | 17 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-8113920817
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1993918519.sdf |
| SMILES | MCULE-1993918519.smiles |
| Standard InChI | MCULE-1993918519.inchi |
| InChIKey | MCULE-1993918519.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886665591 | 95 | As is | in stock |
| P-889968346 | N/A | As is | by synthesis |
| P-869204900 | 95 | As is | in stock |
| P-903231342 | 95 | As is | 1000 mg |
| P-851629579 | N/A | As is | by synthesis |
| P-889804892 | 95 | As is | by synthesis |
| P-611181072 | 95 | As is | by synthesis |
| P-895467492 | 95 | As is | by synthesis |
| P-611595036 | 90 | As is | in stock |
| P-893808726 | 95 | As is | by synthesis |
| P-893088455 | N/A | Main component | by synthesis |
| P-872868029 | 95 | Main component | 1.15 g |
| P-590337713 | 90 | Main component | 1000 mg |
| P-890215280 | 90 | Main component | 1000 mg |
| P-502551611 | 95 | Main component | by synthesis |
| P-895249395 | 95 | Main component | by synthesis |
| P-491116542 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 203.065 |
| logP | 3.36568 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 49.81 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 50.6464 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

