Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8121653401
Compound
Show structures
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-8121653401.sdf |
| SMILES | MCULE-8121653401.smiles |
| Standard InChI | MCULE-8121653401.inchi |
| InChIKey | MCULE-8121653401.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892980789 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-504778698 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-15157825 | ChemDiv | Discovery Chemistry Library | 90 | As is | 14 mg |
| P-354729 | Chemical Block | Screening Library | 90 | As is | 228 mg |
| P-34733528 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-502468615 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-502504822 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-502884979 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492231455 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-13813860 | InterBioScreen | Screening Compounds | 95 | As is | 300 mg |
| P-12311026 | Otava | In-House Stock Library | 90 | As is | 52 mg |
| P-14041967 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-491077701 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579242889 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-19587069 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33450239 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-873232744 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-25683616 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 118 mg |
| P-3147057 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 120 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 233.176 |
| logP | 1.3368 |
| H-bond acceptors | 6 |
| H-bond donors | 3 |
| Rotatable bonds | 2 |
| PSA | 107.72 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 57.6846 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 7 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
