Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7848329858
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 | 160 USD | 95 | 22 working days | Get Quote |
| 5 mg | 160 USD | 95 | 22 working days | Get Quote |
| 10 mg | 160 USD | 95 | 22 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-2900139119
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7848329858.sdf |
| SMILES | MCULE-7848329858.smiles |
| Standard InChI | MCULE-7848329858.inchi |
| InChIKey | MCULE-7848329858.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-675475654 | 90 | As is | in stock |
| P-851998578 | 96 | As is | in stock |
| P-886629474 | 95 | Main component | in stock |
| P-901202626 | 95 | Main component | by synthesis |
| P-612934840 | 95 | Main component | in stock |
| P-903175232 | 95 | Main component | 5 g |
| P-596457260 | 90 | Main component | 1000 mg |
| P-596517834 | 90 | Main component | 1000 mg |
| P-889805483 | 95 | Main component | by synthesis |
| P-502478042 | 95 | Main component | by synthesis |
| P-492221667 | 95 | Main component | in stock |
| P-852387076 | N/A | Main component | in stock |
| P-854850896 | 95 | Main component | by synthesis |
| P-856064350 | 95 | Main component | in stock |
| P-23339453 | 90 | Main component | in stock |
| P-502335033 | 90 | Main component | in stock |
| P-903656434 | 94 | Main component | by resynthesis (? - ? days) |
| P-611609564 | 90 | Main component | in stock |
| P-893771381 | 95 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 316.779 |
| logP | 2.5375 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 6 |
| PSA | 103.86 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 81.328 |
| Atoms | 42 |
| Rings | 1 |
| Heavy atoms | 21 |
| Hydrogen atoms | 21 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
