Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5676601287
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 | 24 USD | 92 | 18 working days | Get Quote |
| 5 mg | 38 USD | 92 | 18 working days | Get Quote |
| 10 mg | 47 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-5676601287.sdf |
| SMILES | MCULE-5676601287.smiles |
| Standard InChI | MCULE-5676601287.inchi |
| InChIKey | MCULE-5676601287.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892861794 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-888701142 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893596834 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 100 mg |
| P-875906106 | AmBeed | In stock | N/A | As is | in stock |
| P-888818005 | Angene | Building Blocks in stock | 98 | As is | 25 mg |
| P-889592938 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-5223647 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-619862266 | ChemDiv | Discovery Chemistry Library | 90 | As is | 8 mg |
| P-34811402 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-503124853 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-12605563 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-873243135 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-14417327 | Life Chemicals | Screening Compounds | 90 | As is | 63 mg |
| P-621154061 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-13253597 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-34123268 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-889864320 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-892306329 | TargetMol | Natural Products | 95 | As is | in stock |
| P-869167804 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892301454 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888661584 | TargetMol | Screening Compounds - stock amount | 95 | As is | 178 mg |
| P-22799371 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-2416287 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 156 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 284.305 |
| logP | 3.3055 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 55.76 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 81.2555 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 16 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
