Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1354886965
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 | 5 USD | 98 | 16 working days | Get Quote |
| 5 mg | 5 USD | 98 | 16 working days | Get Quote |
| 10 mg | 5 USD | 98 | 16 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.
| Name | File |
|---|---|
| SDF | MCULE-1354886965.sdf |
| SMILES | MCULE-1354886965.smiles |
| Standard InChI | MCULE-1354886965.inchi |
| InChIKey | MCULE-1354886965.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-867579584 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock | March 22 |
| P-590413125 | AK Scientific | Building Blocks | 98 | As is | in stock | November 4, 2019 |
| P-869182365 | AK Scientific | Building Blocks | 95 | As is | in stock | December 6, 2022 |
| P-869300605 | AK Scientific | Building Blocks | 98 | As is | in stock | December 6, 2022 |
| P-861306216 | Alinda | Stock Screening Compounds | 90 | As is | in stock | July 4, 2022 |
| P-606942444 | AmBeed | In stock | N/A | As is | in stock | April 7, 2020 |
| P-489129860 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock | December 20, 2016 |
| P-596952263 | Angene | Building Blocks in stock | 98 | As is | 25 g | April 27 |
| P-851268568 | Chemshuttle | On request catalog | 95 | As is | by synthesis | January 16 |
| P-868627348 | Combi-Blocks | Building Block in stock | 98 | As is | in stock | October 7, 2022 |
| P-855923542 | Key Organics | Building Blocks | 97 | As is | 5 g | Tuesday |
| P-31194438 | LaboTest | Screening Collection | 90 | As is | in stock | May 19, 2020 |
| P-856043469 | LaboTest | Building Blocks | 90 | As is | in stock | September 1, 2021 |
| P-854712465 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock | June 6, 2022 |
| P-608269903 | Molnova | Stock | 98 | As is | in stock | May 7, 2020 |
| P-579711907 | Selleckchem | Product Catalog | N/A | As is | in stock | June 16, 2020 |
| P-464623109 | TargetMol | Screening Compounds | 95 | As is | 7.656 g | March 1 |
| P-502366230 | TimTec | Building Block Collection | 90 | As is | in stock | February 1, 2015 |
| P-868501407 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock | October 11, 2022 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 223.268 |
| logP | 1.8677 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 58.56 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 62.8295 |
| Atoms | 33 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
