Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6220129979
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 | 35 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 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-6220129979.sdf |
| SMILES | MCULE-6220129979.smiles |
| Standard InChI | MCULE-6220129979.inchi |
| InChIKey | MCULE-6220129979.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886586579 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890150787 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869257184 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-19879808 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-875903880 | AmBeed | In stock | N/A | As is | in stock |
| P-888816651 | Angene | Building Blocks in stock | 95 | As is | 5 g |
| P-889782339 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-873435525 | BLD pharm | In-stock building blocks | 95 | As is | 3.4 g |
| P-22004323 | ChemDiv | Discovery Chemistry Library | 90 | As is | 10 mg |
| P-37742 | Chemical Block | Screening Library | 90 | As is | 4 mg |
| P-861565132 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34776681 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-503869070 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502594547 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-854924576 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-26346846 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-18833548 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-896074462 | Specs | Repurposed Compounds | N/A | As is | 63 mg |
| P-22468094 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 204 mg |
| P-3242522 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 212 mg |
| P-518122 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 212 mg |
| P-894005993 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 245.702 |
| logP | 3.6609 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 68.9352 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
