Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4800917988-0
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 50 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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.
-
1
MCULE-3746272912-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4800917988-0.sdf |
| SMILES | MCULE-4800917988-0.smiles |
| Standard InChI | MCULE-4800917988-0.inchi |
| InChIKey | MCULE-4800917988-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892494318 | Asinex | General screening catalog | 90 | As is | 57 mg |
| P-3357376 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
| P-617604640 | Specs | Screening Compounds | 90 | As is | 302 mg |
| P-596497671 | Asinex | General bb catalog | 90 | Main component | unavailable |
| P-862118034 | FluoroChem | General BB | N/A | Main component | in stock |
| P-621310622 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
| P-19508787 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-1412606 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 318 mg |
| P-892975556 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-674290596 | ChemDiv | Building Blocks in stock | 90 | Main component as a main component | in stock |
| P-619320510 | ChemDiv | Discovery Chemistry Library | 90 | Main component as a main component | 11 mg |
| P-34721602 | Crea-Chim | HTS compounds | 90 | Main component as a main component | unavailable |
| P-580787748 | Crea-Chim | Building Blocks | 90 | Main component as a main component | by resynthesis (? - ? days) |
| P-873215228 | TimTec | Building Block Collection | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 278.775 |
| logP | 3.963 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 34.15 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 79.5627 |
| Atoms | 38 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 19 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 |
