Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1729488229
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 | 36 USD | 95 | 20 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-1729488229.sdf |
| SMILES | MCULE-1729488229.smiles |
| Standard InChI | MCULE-1729488229.inchi |
| InChIKey | MCULE-1729488229.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867628961 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875791912 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-613846024 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-517102991 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851946487 | AmBeed | In stock | N/A | As is | in stock |
| P-865919357 | Angene | Building Blocks in stock | 95 | As is | 49 g |
| P-864113919 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-674401824 | BLD pharm | In-stock building blocks | 95 | As is | 49 g |
| P-868625124 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580397040 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-862021060 | FluoroChem | General BB | N/A | As is | in stock |
| P-503626458 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-675352871 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502809061 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492214880 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-563555433 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-14080250 | Life Chemicals | Screening Compounds | 90 | As is | 2 mg |
| P-852462374 | Matrix Scientific | All | N/A | As is | in stock |
| P-889881788 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-535659772 | Rieke Metals | Natural Compounds | N/A | As is | in stock |
| P-502327361 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22497402 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 228 mg |
| P-855237823 | Toronto Research | In stock | 90 | As is | in stock |
| P-886946285 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 305.122 |
| logP | 3.3783 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 54.37 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 70.9758 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 9 |
| 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 |
