Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8811640217
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 | 54 USD | 90 | 10 working days | Get Quote |
| 5 mg | 68 USD | 90 | 10 working days | Get Quote |
| 10 mg | 92 USD | 90 | 10 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-8811640217.sdf |
| SMILES | MCULE-8811640217.smiles |
| Standard InChI | MCULE-8811640217.inchi |
| InChIKey | MCULE-8811640217.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892871964 | N/A | As is | in stock |
| P-901215210 | N/A | As is | by synthesis |
| P-894675671 | 95 | As is | in stock |
| P-580203970 | 95 | As is | by synthesis |
| P-851467169 | N/A | As is | by synthesis |
| P-579786810 | 95 | As is | by resynthesis (? - ? days) |
| P-901362469 | 95 | As is | by synthesis |
| P-590762054 | 90 | As is | by synthesis |
| P-454733752 | 90 | As is | in stock |
| P-436473529 | 95 | As is | in stock |
| P-861537256 | 95 | As is | by synthesis |
| P-18712329 | 90 | As is | 3.334 g |
| P-454379992 | 90 | As is | 3.334 g |
| P-904181964 | 90 | As is | 315 mg |
| P-852533418 | N/A | As is | in stock |
| P-854923700 | 95 | As is | by synthesis |
| P-502374288 | 90 | As is | in stock |
| P-855349142 | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 191.183 |
| logP | 1.11008 |
| H-bond acceptors | 4 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 59.32 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 48.548 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
