Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4202420620
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 | 28 USD | N/A | 8 working days | Get Quote |
| 5 mg | 28 USD | N/A | 8 working days | Get Quote |
| 10 mg | 28 USD | N/A | 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.
-
MCULE-1633954643
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-4202420620.sdf |
| SMILES | MCULE-4202420620.smiles |
| Standard InChI | MCULE-4202420620.inchi |
| InChIKey | MCULE-4202420620.txt |
| mcule product ID | Supplier | Catalog | Purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-505404013 | AK Scientific | Building Blocks | N/A | As is | in stock | July 13, 2018 |
| P-505353170 | AK Scientific | Building Blocks | 98 | As is | in stock | July 13, 2018 |
| P-492321086 | Advamacs (TriMen Chemicals) | All | 95 | As is | in stock | June 9, 2017 |
| P-489181837 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock | December 20, 2016 |
| P-500417525 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock | September 20, 2017 |
| P-504609479 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis | August 21, 2017 |
| P-31275080 | LaboTest | Screening Collection | 90 | As is | in stock | February 5, 2014 |
| P-424918310 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock | July 1, 2017 |
| P-25547541 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 92 mg | January 9 |
| P-500133817 | Chiralstar | Chiralstar Building Blocks | 97 | As a main component | in stock | May 9, 2017 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 45.041 |
| logP | 0.4377 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 43.09 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 10.2174 |
| Atoms | 6 |
| Rings | 0 |
| Heavy atoms | 3 |
| Hydrogen atoms | 3 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
