Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9932389567
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 | 43 USD | 95 | 8 working days | Get Quote |
| 5 mg | 43 USD | 95 | 8 working days | Get Quote |
| 10 mg | 43 USD | 95 | 8 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-9932389567.sdf |
| SMILES | MCULE-9932389567.smiles |
| Standard InChI | MCULE-9932389567.inchi |
| InChIKey | MCULE-9932389567.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867673840 | 95 | As is | in stock |
| P-875848492 | N/A | As is | in stock |
| P-869364671 | 95 | As is | in stock |
| P-903238820 | 95 | As is | 2.5 g |
| P-580204140 | 95 | As is | by synthesis |
| P-901180875 | N/A | As is | in stock |
| P-889809469 | 95 | As is | by synthesis |
| P-481172393 | 95 | As is | 11 g |
| P-901923186 | 97 | As is | 3.253 g |
| P-901522039 | 95 | As is | by synthesis |
| P-861396019 | 95 | As is | by synthesis |
| P-454301743 | 90 | As is | unavailable |
| P-31270416 | 90 | As is | unavailable |
| P-852483347 | N/A | As is | in stock |
| P-895691975 | 95 | As is | by synthesis |
| P-873236327 | 90 | As is | in stock |
| P-611573057 | 90 | As is | in stock |
| P-893669074 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 166.216 |
| logP | 1.9677 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 29.46 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.6758 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 14 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
