Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4113586715
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 | 47 USD | 98 | 16 working days | Get Quote |
| 5 mg | 52 USD | 95 | 11 working days | Get Quote |
| 10 mg | 55 USD | 98 | 14 working days | Get Quote |
New customers are eligible for 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 1-Click Scaffold Hop Find novel active ligands structurally different from the ligand.
- 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-1670423447
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4113586715.sdf |
| SMILES | MCULE-4113586715.smiles |
| Standard InChI | MCULE-4113586715.inchi |
| InChIKey | MCULE-4113586715.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-867627950 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock | March 22 |
| P-872726665 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock | March 20 |
| P-873243631 | Key Organics | Building Blocks | 97 | As is | 5 mg | Tuesday |
| P-854721600 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock | June 6, 2022 |
| P-872676926 | MedKoo | In stock compounds | 95 | As is | in stock | February 27 |
| P-869164009 | TargetMol | Screening Compounds | 95 | As is | 578 mg | March 1 |
| P-23044033 | TimTec | ActiMol 2 Week | 90 | As is | in stock | April 1, 2014 |
| P-502439529 | TimTec | Building Block Collection | 90 | As is | in stock | February 1, 2015 |
| P-868528509 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock | October 11, 2022 |
| P-867630963 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock | March 22 |
| P-869363115 | AK Scientific | Building Blocks | 95 | As a main component | in stock | December 6, 2022 |
| P-871219114 | BOC Sciences | All products | N/A | As a main component | by resynthesis (? - ? days) | January 10 |
| P-873244513 | Key Organics | Building Blocks | 97 | As a main component | 5 mg | Tuesday |
| P-854719191 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock | June 6, 2022 |
| P-872676927 | MedKoo | In stock compounds | 95 | As a main component | in stock | February 27 |
| P-869120019 | TargetMol | Screening Compounds | 95 | As a main component | in stock | March 1 |
| P-855013513 | Toronto Research | In stock | 90 | As a main component | in stock | May 10, 2022 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 309.400 |
| logP | 2.6657 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 8 |
| PSA | 67.79 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 87.3295 |
| Atoms | 49 |
| Rings | 1 |
| Heavy atoms | 22 |
| Hydrogen atoms | 27 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
