Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1547843081
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 | 26 USD | 95 | 22 working days | Get Quote |
| 5 mg | 26 USD | 95 | 22 working days | Get Quote |
| 10 mg | 26 USD | 95 | 22 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-1547843081.sdf |
| SMILES | MCULE-1547843081.smiles |
| Standard InChI | MCULE-1547843081.inchi |
| InChIKey | MCULE-1547843081.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886558694 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890145349 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590385679 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-19879697 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851563485 | AmBeed | On request | N/A | As is | by synthesis |
| P-489227266 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596318677 | Asinex | General screening catalog | 90 | As is | 16 mg |
| P-590888786 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-449230559 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| P-868584082 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-34761191 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-502920230 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-855933533 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
| P-601065121 | Life Chemicals | Screening Compounds | 90 | As is | 50 mg |
| P-852460279 | Matrix Scientific | All | N/A | As is | in stock |
| P-864072689 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-424128913 | Otava | In-House Stock Library | 90 | As is | 110 mg |
| P-18916701 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22848694 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-888485985 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611603873 | Toronto Research | In stock | 90 | As is | in stock |
| P-3245699 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 678 mg |
| P-893816903 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 217.263 |
| logP | 2.9857 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 54.55 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.9097 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| 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 |
