Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6067402886-0
Structure
Show compound
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 | 25 USD | 98 | 16 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 42 USD | 98 | 16 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.
-
MCULE-4057534976-0
- Component type: Main
-
MCULE-7144012206-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6067402886-0.sdf |
| SMILES | MCULE-6067402886-0.smiles |
| Standard InChI | MCULE-6067402886-0.inchi |
| InChIKey | MCULE-6067402886-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867601591 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
| P-875758660 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-865912656 | Angene | Building Blocks in stock | N/A | As is | 20 mg |
| P-890850972 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-608081959 | LabSeeker, Inc | Stock Collection | 90 | As is | in stock |
| P-881187604 | Otava | In-House Stock Library | 90 | As is | 136 mg |
| P-872723057 | Apexbio Technology | Bioactive Compound Library | 98 | As a main component | in stock |
| P-870662585 | Glentham Life Sciences | Compounds maintained in stock | 98 | As a main component | in stock |
| P-890851774 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
| P-596584545 | Key Organics | Building Blocks | 97 | As a main component | 5 mg |
| P-608270815 | Molnova | Stock | 98 | As a main component | in stock |
| P-881188852 | Otava | In-House Stock Library | 90 | As a main component | 50 mg |
| P-885537905 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 778.930 |
| logP | 4.6944 |
| H-bond acceptors | 12 |
| H-bond donors | 2 |
| Rotatable bonds | 10 |
| PSA | 133.87 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 226.0435 |
| Atoms | 111 |
| Rings | 9 |
| Heavy atoms | 57 |
| Hydrogen atoms | 54 |
| Heteroatoms | 12 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 8 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 8 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
