Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3119132003-0
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 | 10 USD | 98 | 15 working days | Get Quote |
| 5 mg | 10 USD | 98 | 15 working days | Get Quote |
| 10 mg | 10 USD | 98 | 15 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-3119132003-0.sdf |
| SMILES | MCULE-3119132003-0.smiles |
| Standard InChI | MCULE-3119132003-0.inchi |
| InChIKey | MCULE-3119132003-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867639158 | 98 | As is | in stock |
| P-875804899 | 98 | As is | in stock |
| P-1275199664 | 99 | As is | in stock |
| P-901329072 | 98 | As is | in stock |
| P-903162031 | 98 | As is | 100 g |
| P-1264057551 | 95 | As is | in stock |
| P-606931783 | N/A | As is | in stock |
| P-489178514 | 97 | As is | in stock |
| P-596989970 | 98 | As is | 400 mg |
| P-1273269870 | 95 | As is | by resynthesis (? - ? days) |
| P-1273341226 | 95 | As is | by resynthesis (? - ? days) |
| P-864198067 | 95 | As is | in stock |
| P-890241815 | 98 | As is | 20 mg |
| P-893234847 | 95 | As is | in stock |
| P-868608709 | 98 | As is | in stock |
| P-870656138 | N/A | As is | in stock |
| P-596561972 | 97 | As is | 1000 mg |
| P-580479291 | N/A | As is | by synthesis |
| P-1272494764 | 95 | As is | in stock |
| P-863725156 | 95 | As is | in stock |
| P-584615857 | 95 | As is | in stock |
| P-892309344 | 95 | As is | in stock |
| P-869172642 | 95 | As is | 503 mg |
| P-904255218 | 95 | As is | 503 mg |
| P-888663949 | 95 | As is | 503 mg |
| P-855051815 | 90 | As is | in stock |
| P-1271691463 | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 272.296 |
| logP | 4.6132 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 30.21 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 85.426 |
| Atoms | 33 |
| Rings | 4 |
| Heavy atoms | 21 |
| Hydrogen atoms | 12 |
| 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 |
