Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4141881437
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.
|
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 | 14 USD | 98 | 8 working days | Get Quote |
| 5 mg | 14 USD | 98 | 8 working days | Get Quote |
| 10 mg | 14 USD | 98 | 8 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-4141881437.sdf |
| SMILES | MCULE-4141881437.smiles |
| Standard InChI | MCULE-4141881437.inchi |
| InChIKey | MCULE-4141881437.txt |
| mcule product ID | Supplier | Catalog | Purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-535624752 | AK Scientific | Building Blocks | 99 | As is | in stock | April 5, 2018 |
| P-505390833 | AK Scientific | Building Blocks | 98 | As is | in stock | July 13, 2018 |
| P-492317753 | Advamacs (TriMen Chemicals) | All | 95 | As is | in stock | June 9, 2017 |
| P-505409849 | BOCSCI | All products | 95 | As is | in stock | July 6, 2017 |
| P-486673987 | Enamine | Building Blocks | 95 | As is | unavailable | 17 hours ago |
| P-505524920 | Hangzhou Apichem | All products | 95 | As is | in stock | June 30, 2017 |
| P-524164998 | Key Organics | Building Blocks | 97 | As is | in stock | February 11 |
| P-579622259 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock | August 11, 2017 |
| P-31248382 | LaboTest | Screening Collection | 90 | As is | in stock | February 5, 2014 |
| P-428720548 | MolMall Sarl | In-stock Screening Compounds | 90 | As is | 100 mg | January 15 |
| P-500404253 | Pi Chemicals | Virtual Compounds | 99 | As is | by synthesis | August 8, 2017 |
| P-19582184 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock | May 30, 2013 |
| P-22530757 | TimTec | ActiMol 1 Week | 90 | As is | 1.5 g | April 1, 2014 |
| P-502366747 | TimTec | Building Block Collection | 90 | As is | in stock | February 1, 2015 |
| P-1306061 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 974 mg | February 9 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.228 |
| logP | 3.993 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 0 |
| PSA | 0.0 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 61.454 |
| Atoms | 24 |
| Rings | 3 |
| Heavy atoms | 14 |
| Hydrogen atoms | 10 |
| Heteroatoms | 0 |
| N/O atoms | 0 |
| 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 |
