Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9571602425
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 | 36 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 65 USD | 90 | 19 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-9571602425.sdf |
| SMILES | MCULE-9571602425.smiles |
| Standard InChI | MCULE-9571602425.inchi |
| InChIKey | MCULE-9571602425.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867618293 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875779640 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-613846302 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893443680 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 6 g |
| P-867710684 | AmBeed | In stock | N/A | As is | in stock |
| P-868829877 | Angene | Building Blocks in stock | 95 | As is | 6 g |
| P-889579895 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-855390658 | BLD pharm | In-stock building blocks | 95 | As is | 3.868 g |
| P-454688901 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-15156853 | ChemDiv | Discovery Chemistry Library | 90 | As is | 8 mg |
| P-436444718 | Chemical Block | Building Blocks | 90 | As is | 63 g |
| P-350694 | Chemical Block | Screening Library | 90 | As is | 197 mg |
| P-887319110 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34732455 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-580377595 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-889297170 | FluoroChem | General BB | 95 | As is | in stock |
| P-590340530 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
| P-890218098 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-854792597 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888877018 | PharmaBlock | In stock | N/A | As is | in stock |
| P-24067003 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-859994709 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22627743 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502341382 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611372257 | Toronto Research | In stock | 90 | As is | in stock |
| P-2146801 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 142 mg |
| P-872758703 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.626 |
| logP | 2.2239 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 55.12 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 55.5333 |
| Atoms | 22 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 7 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |
