Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2659395342
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 51 USD | 90 | 17 working days | Get Quote |
| 10 mg | 65 USD | 90 | 17 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-2659395342.sdf |
| SMILES | MCULE-2659395342.smiles |
| Standard InChI | MCULE-2659395342.inchi |
| InChIKey | MCULE-2659395342.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-851431495 | AmBeed | On request | N/A | As is | by synthesis |
| P-596512280 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-596357726 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-5008771 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-502678306 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-503335324 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12891896 | InterBioScreen | Screening Compounds | 92 | As is | 253 mg |
| P-12357767 | Otava | In-House Stock Library | 90 | As is | 32 mg |
| P-674666824 | Pharmeks LLC | Synthetic compounds | 92 | As is | in stock |
| P-424811978 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-23322195 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502348610 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-1881928 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 276.313 |
| logP | 2.0716 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 95.27 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 78.6593 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
