Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3352613586-0
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 USD | 98 | 14 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-3352613586-0.sdf |
| SMILES | MCULE-3352613586-0.smiles |
| Standard InChI | MCULE-3352613586-0.inchi |
| InChIKey | MCULE-3352613586-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867585844 | 98 | As is | in stock |
| P-875744069 | N/A | As is | in stock |
| P-869194914 | 95 | As is | in stock |
| P-869363251 | N/A | As is | in stock |
| P-505390017 | 98 | As is | in stock |
| P-903074541 | 98 | As is | 16 kg |
| P-580243463 | 95 | As is | by synthesis |
| P-606911296 | N/A | As is | in stock |
| P-596954151 | 98 | As is | 4 kg |
| P-580697917 | 98 | As is | 2.25 kg |
| P-901413753 | 95 | As is | in stock |
| P-3286590 | 90 | As is | 1.863 g |
| P-881630332 | 98 | As is | in stock |
| P-425204067 | 90 | As is | in stock |
| P-868615337 | 98 | As is | in stock |
| P-579477500 | 95 | As is | in stock |
| P-905346667 | 97 | As is | 380 g |
| P-862031486 | 97 | As is | 380 g |
| P-675218988 | 95 | As is | in stock |
| P-31274623 | 90 | As is | 10 g |
| P-856042943 | 90 | As is | 10 g |
| P-14074742 | 90 | As is | 1.86 g |
| P-428002382 | 95 | As is | 9.089 kg |
| P-854718965 | 95 | As is | in stock |
| P-901019772 | 95 | As is | in stock |
| P-608277982 | 98 | As is | in stock |
| P-881186995 | 90 | As is | 50 mg |
| P-1263958632 | 90 | As is | in stock |
| P-1263956959 | 90 | As is | in stock |
| P-579711933 | N/A | As is | in stock |
| P-579703238 | N/A | As is | in stock |
| P-904256049 | 95 | As is | in stock |
| P-464626509 | 95 | As is | by synthesis |
| P-892286862 | 95 | As is | 1.002 g |
| P-888627215 | 95 | As is | 1.002 g |
| P-502368370 | 90 | As is | in stock |
| P-33715667 | 94 | As is | by resynthesis (? - ? days) |
| P-906780717 | 99 | As is | by synthesis |
| P-480893264 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 194.226 |
| logP | 2.3491 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 54.1655 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 14 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
