Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6407818961
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 49 USD | 90 | 19 working days | Get Quote |
| 10 mg | 62 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-6407818961.sdf |
| SMILES | MCULE-6407818961.smiles |
| Standard InChI | MCULE-6407818961.inchi |
| InChIKey | MCULE-6407818961.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886644674 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889945611 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869359293 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851414854 | AmBeed | On request | N/A | As is | by synthesis |
| P-596450950 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-596497105 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-590732160 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-577140193 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-5382116 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
| P-896545012 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-579483306 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 15.85 g |
| P-890203827 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-502487108 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-454359750 | Key Organics | Screening Compounds and Fragments | 90 | As is | 97 mg |
| P-14419058 | Life Chemicals | Screening Compounds | 90 | As is | in stock |
| P-852386910 | Matrix Scientific | All | N/A | As is | in stock |
| P-854840598 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-424841270 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491081978 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502335109 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855213182 | Toronto Research | In stock | 90 | As is | in stock |
| P-2998183 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 756 mg |
| P-893834120 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 233.223 |
| logP | 1.2825 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 77.24 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 59.7763 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
