Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7160798818
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 | 36 USD | 95 | 26 working days | Get Quote |
| 5 mg | 36 USD | 95 | 26 working days | Get Quote |
| 10 mg | 41 USD | 95 | 26 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.
| Name | File |
|---|---|
| SDF | MCULE-7160798818.sdf |
| SMILES | MCULE-7160798818.smiles |
| Standard InChI | MCULE-7160798818.inchi |
| InChIKey | MCULE-7160798818.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892878720 | 95 | As is | in stock |
| P-901293038 | N/A | As is | in stock |
| P-894624992 | 95 | As is | in stock |
| P-851662849 | N/A | As is | by synthesis |
| P-901359386 | 95 | As is | by synthesis |
| P-591017834 | 95 | As is | by synthesis |
| P-577155496 | 90 | As is | by synthesis |
| P-449225245 | 90 | As is | 14 mg |
| P-436463529 | 95 | As is | 2 g |
| P-872749839 | 95 | As is | in stock |
| P-502673657 | 90 | As is | in stock |
| P-492219187 | 95 | As is | in stock |
| P-12481888 | 95 | As is | 94 mg |
| P-855974774 | 95 | As is | 1000 mg |
| P-852434044 | N/A | As is | in stock |
| P-854925230 | 95 | As is | by synthesis |
| P-491181685 | 95 | As is | by synthesis |
| P-18965031 | 90 | As is | in stock |
| P-22815341 | 90 | As is | in stock |
| P-502353940 | 90 | As is | in stock |
| P-907286917 | 94 | As is | by resynthesis (? - ? days) |
| P-907225669 | 94 | As is | by resynthesis (? - ? days) |
| P-855310769 | 90 | As is | in stock |
| P-586572 | 90 | As is | 214 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 285.809 |
| logP | 5.3782 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 12.03 |
| RO5 violations | 1 |
| RO3 violations | 1 |
| Refractivity | 90.1807 |
| Atoms | 40 |
| Rings | 3 |
| Heavy atoms | 20 |
| Hydrogen atoms | 20 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| 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 |
