Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9609922360
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 | 83 USD | 90 | 17 working days | Get Quote |
| 5 mg | 97 USD | 90 | 17 working days | Get Quote |
| 10 mg | 110 USD | 90 | 17 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-1449706496
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9609922360.sdf |
| SMILES | MCULE-9609922360.smiles |
| Standard InChI | MCULE-9609922360.inchi |
| InChIKey | MCULE-9609922360.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867424885 | 95 | As is | by synthesis |
| P-904562990 | 95 | As is | in stock |
| P-893470576 | 90 | As is | 5.162 g |
| P-851626741 | N/A | As is | by synthesis |
| P-899951505 | N/A | As is | by synthesis |
| P-590855540 | 95 | As is | by synthesis |
| P-901906331 | 97 | As is | by synthesis |
| P-619298987 | 90 | As is | 11 mg |
| P-675398593 | 90 | As is | in stock |
| P-502943293 | 90 | As is | in stock |
| P-601067049 | 90 | As is | 5.156 g |
| P-25840497 | 95 | As is | 5.156 g |
| P-852508551 | N/A | As is | in stock |
| P-895263157 | 95 | As is | by synthesis |
| P-855252534 | 90 | As is | in stock |
| P-892980145 | N/A | Main component | by synthesis |
| P-894671369 | 95 | Main component | in stock |
| P-851433476 | N/A | Main component | by synthesis |
| P-611020661 | 95 | Main component | by synthesis |
| P-502535542 | 95 | Main component | by synthesis |
| P-492227406 | 95 | Main component | in stock |
| P-854906822 | 95 | Main component | by synthesis |
| P-856069683 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 229.744 |
| logP | 3.9487 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 21.26 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 66.8947 |
| Atoms | 35 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 20 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
