Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9161560785-0
Structure
Show compound
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 | 47 USD | 90 | 8 working days | Get Quote |
| 5 mg | 52 USD | 95 | 11 working days | Get Quote |
| 10 mg | 52 USD | 95 | 11 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-9161560785-0.sdf |
| SMILES | MCULE-9161560785-0.smiles |
| Standard InChI | MCULE-9161560785-0.inchi |
| InChIKey | MCULE-9161560785-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867315514 | 95 | As is | by synthesis |
| P-901216609 | N/A | As is | by synthesis |
| P-613848932 | 95 | As is | in stock |
| P-903215155 | 95 | As is | 2.5 g |
| P-580216054 | 95 | As is | by synthesis |
| P-851758651 | N/A | As is | by synthesis |
| P-579787530 | 95 | As is | by resynthesis (? - ? days) |
| P-596471248 | 90 | As is | 1000 mg |
| P-901348395 | 95 | As is | by synthesis |
| P-591095067 | 95 | As is | by synthesis |
| P-454637739 | 90 | As is | in stock |
| P-619857428 | 90 | As is | 20.195 g |
| P-436448240 | 95 | As is | 10 g |
| P-675061682 | 90 | As is | in stock |
| P-19998935 | 90 | As is | in stock |
| P-905266241 | 95 | As is | in stock |
| P-34768485 | 90 | As is | by synthesis |
| P-580304930 | 95 | As is | by resynthesis (? - ? days) |
| P-579523683 | 90 | As is | 4.96 g |
| P-890212476 | 90 | As is | 4.96 g |
| P-503002397 | 90 | As is | in stock |
| P-492238866 | 95 | As is | in stock |
| P-18761562 | 95 | As is | 37.601 g |
| P-454411007 | 95 | As is | 37.601 g |
| P-31201624 | 90 | As is | unavailable |
| P-888159715 | 95 | As is | by synthesis |
| P-852398410 | N/A | As is | in stock |
| P-854842871 | 95 | As is | by synthesis |
| P-492278810 | 90 | As is | 620 mg |
| P-12632787 | 90 | As is | 50 mg |
| P-1263767747 | 95 | As is | in stock |
| P-859989402 | 95 | As is | by synthesis |
| P-34148476 | 90 | As is | in stock |
| P-502350248 | 90 | As is | in stock |
| P-22523011 | 90 | As is | 855 mg |
| P-611374306 | 90 | As is | in stock |
| P-893849814 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 218.076 |
| logP | 2.5859 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 53.8297 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 2 |
| 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 |
