Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3284924609
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 | 156 USD | 90 | 30 working days | Get Quote |
| 5 mg | 182 USD | 90 | 30 working days | Get Quote |
| 10 mg | 195 USD | 90 | 30 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.
-
MCULE-1372070278
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3284924609.sdf |
| SMILES | MCULE-3284924609.smiles |
| Standard InChI | MCULE-3284924609.inchi |
| InChIKey | MCULE-3284924609.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886609716 | 95 | As is | in stock |
| P-889926102 | 97 | As is | by synthesis |
| P-869263155 | 95 | As is | in stock |
| P-903147480 | 97 | As is | 1000 mg |
| P-873294796 | 97 | As is | 1000 mg |
| P-901444721 | 95 | As is | by synthesis |
| P-890216980 | 90 | As is | 1000 mg |
| P-590339409 | 90 | As is | 1000 mg |
| P-859994004 | 95 | As is | by synthesis |
| P-855222168 | 90 | As is | in stock |
| P-886902438 | 95 | As is | in stock |
| P-904540161 | 95 | As a main component | in stock |
| P-610976060 | 90 | As a main component | 12.25 g |
| P-887177173 | 95 | As a main component | by synthesis |
| P-869030484 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.274 |
| logP | 1.8183 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 29.26 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 56.2394 |
| Atoms | 31 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 18 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
