Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3196323357
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 53 USD | 90 | 22 working days | Get Quote |
| 10 mg | 69 USD | 90 | 22 working days | Get Quote |
- 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-3196323357.sdf |
| SMILES | MCULE-3196323357.smiles |
| Standard InChI | MCULE-3196323357.inchi |
| InChIKey | MCULE-3196323357.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867548443 | 95 | As is | in stock |
| P-875705467 | 95 | As is | in stock |
| P-612937112 | 95 | As is | by resynthesis (? - ? days) |
| P-851755290 | N/A | As is | by synthesis |
| P-901348556 | 95 | As is | by synthesis |
| P-591031596 | 95 | As is | by synthesis |
| P-492246956 | 95 | As is | in stock |
| P-4505397 | 90 | As is | 100 mg |
| P-454755548 | 90 | As is | in stock |
| P-454697687 | 90 | As is | in stock |
| P-619826007 | 90 | As is | 71 mg |
| P-436448525 | 95 | As is | in stock |
| P-675036440 | 90 | As is | in stock |
| P-20002468 | 90 | As is | in stock |
| P-868631936 | 95 | As is | in stock |
| P-34775918 | 90 | As is | by synthesis |
| P-580775538 | 90 | As is | by resynthesis (? - ? days) |
| P-580765008 | 90 | As is | in stock |
| P-502760902 | 90 | As is | in stock |
| P-596590253 | 90 | As is | 1000 mg |
| P-580498755 | N/A | As is | by synthesis |
| P-1272568067 | N/A | As is | 1000 mg |
| P-852392743 | N/A | As is | by synthesis |
| P-854893935 | 95 | As is | by synthesis |
| P-901177323 | 90 | As is | 50 mg |
| P-491128265 | 95 | As is | by synthesis |
| P-18828766 | 90 | As is | in stock |
| P-33465206 | 90 | As is | in stock |
| P-502341911 | 90 | As is | in stock |
| P-888432192 | 94 | As is | by resynthesis (? - ? days) |
| P-611432217 | 90 | As is | in stock |
| P-3234185 | 90 | As is | 7.131 g |
| P-3243202 | 90 | As is | 7.131 g |
| P-606930 | 90 | As is | 7.131 g |
| P-893675835 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 228.674 |
| logP | 2.4167 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 64.35 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 58.3921 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
