Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2057697808-0
Structure
Show compound
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 95 | 14 working days | Get Quote |
| 5 mg | 13 USD | 95 | 14 working days | Get Quote |
| 10 mg | 13 USD | 95 | 14 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-9671122893-1
- Component type: Main
-
1
MCULE-5646000632-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2057697808-0.sdf |
| SMILES | MCULE-2057697808-0.smiles |
| Standard InChI | MCULE-2057697808-0.inchi |
| InChIKey | MCULE-2057697808-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-1275441156 | 95 | As is | by synthesis |
| P-872828961 | 95 | Main component as a main component | in stock |
| P-875749384 | 98 | Main component as a main component | in stock |
| P-875777080 | 95 | Main component as a main component | in stock |
| P-1275148580 | 95 | Main component as a main component | in stock |
| P-1275172792 | 98 | Main component as a main component | in stock |
| P-1275161069 | 95 | Main component as a main component | in stock |
| P-903119712 | 95 | Main component as a main component | 500 g |
| P-1270349102 | 98 | Main component as a main component | in stock |
| P-1270379094 | 95 | Main component as a main component | in stock |
| P-867710664 | N/A | Main component as a main component | in stock |
| P-606949354 | N/A | Main component as a main component | in stock |
| P-619179940 | 98 | Main component as a main component | unavailable |
| P-888817136 | 95 | Main component as a main component | 300 g |
| P-1273459226 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1273460849 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889784655 | 95 | Main component as a main component | in stock |
| P-864201449 | 95 | Main component as a main component | in stock |
| P-861316122 | 95 | Main component as a main component | 120.61 g |
| P-870582212 | 95 | Main component as a main component | in stock |
| P-868609820 | 98 | Main component as a main component | in stock |
| P-905356544 | 98 | Main component as a main component | 500 g |
| P-1273122840 | N/A | Main component as a main component | 250 g |
| P-889302089 | 98 | Main component as a main component | 24.3063 kg |
| P-870661601 | N/A | Main component as a main component | in stock |
| P-855919135 | 97 | Main component as a main component | 25 g |
| P-1275088853 | 95 | Main component as a main component | 100 g |
| P-1279668240 | N/A | Main component as a main component | in stock |
| P-1279074132 | N/A | Main component as a main component | by synthesis |
| P-895223386 | 95 | Main component as a main component | in stock |
| P-1274337781 | 95 | Main component as a main component | unavailable |
| P-1274349684 | 95 | Main component as a main component | 399.986 g |
| P-1274359991 | 95 | Main component as a main component | 299.986 g |
| P-33369840 | 90 | Main component as a main component | in stock |
| P-906759463 | 95 | Main component as a main component | by synthesis |
| P-1279190300 | 95 | Main component as a main component | in stock |
| P-1271675603 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 245.401 |
| logP | 3.8136 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 12 |
| PSA | 40.13 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 75.2263 |
| Atoms | 48 |
| Rings | 0 |
| Heavy atoms | 17 |
| Hydrogen atoms | 31 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
