Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1947454786
Compound
Show structure
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 | 59 USD | 95 | 7 working days | Get Quote |
| 5 mg | 64 USD | 98 | 20 working days | Get Quote |
| 10 mg | 64 USD | 98 | 20 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-4198072010
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1947454786.sdf |
| SMILES | MCULE-1947454786.smiles |
| Standard InChI | MCULE-1947454786.inchi |
| InChIKey | MCULE-1947454786.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867606609 | N/A | As is | in stock |
| P-875765149 | N/A | As is | in stock |
| P-590413861 | 98 | As is | by resynthesis (? - ? days) |
| P-903102271 | 98 | As is | 2 g |
| P-893610232 | 90 | As is | 2.431 g |
| P-1270314629 | 98 | As is | in stock |
| P-872942327 | N/A | As is | in stock |
| P-489214688 | 97 | As is | in stock |
| P-596989581 | 98 | As is | 2 g |
| P-1273254419 | 95 | As is | by resynthesis (? - ? days) |
| P-864198699 | 95 | As is | in stock |
| P-590861789 | 98 | As is | by synthesis |
| P-871219862 | N/A | As is | by resynthesis (? - ? days) |
| P-893237644 | 95 | As is | in stock |
| P-861338922 | 95 | As is | by synthesis |
| P-1273136905 | 98 | As is | 2 g |
| P-596583465 | 97 | As is | 10 mg |
| P-896630888 | 95 | As is | in stock |
| P-474027358 | 95 | As is | in stock |
| P-878644954 | 98 | As is | in stock |
| P-1263957804 | 90 | As is | in stock |
| P-885543487 | 95 | As is | by synthesis |
| P-892292779 | 95 | As is | unavailable |
| P-869141696 | 95 | As is | 147 mg |
| P-888647007 | 95 | As is | 147 mg |
| P-906791781 | 98 | As is | by synthesis |
| P-611385797 | 90 | As is | in stock |
| P-1271686799 | 98 | As is | in stock |
| P-852195803 | 95 | Main component | by synthesis |
| P-1268874534 | 95 | Main component | by synthesis |
| P-869267505 | 95 | Main component | by resynthesis (? - ? days) |
| P-903150074 | 95 | Main component | 1.65 g |
| P-1270298561 | 95 | Main component | in stock |
| P-851606111 | N/A | Main component | by synthesis |
| P-888819006 | 95 | Main component | 1.65 g |
| P-1273410746 | 95 | Main component | by resynthesis (? - ? days) |
| P-889785756 | 95 | Main component | in stock |
| P-674397402 | 95 | Main component | by synthesis |
| P-887193509 | 95 | Main component | by synthesis |
| P-1267007170 | 95 | Main component | by synthesis |
| P-889868991 | 95 | Main component | by synthesis |
| P-906850397 | 95 | Main component | by synthesis |
| P-1271715580 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 392.300 |
| logP | 1.5307 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 94.02 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 105.8408 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 19 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
