Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6741086593
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 | 51 USD | 90 | 16 working days | Get Quote |
| 5 mg | 76 USD | 90 | 16 working days | Get Quote |
| 10 mg | 127 USD | 90 | 24 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-6741086593.sdf |
| SMILES | MCULE-6741086593.smiles |
| Standard InChI | MCULE-6741086593.inchi |
| InChIKey | MCULE-6741086593.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability | Updated |
|---|---|---|---|---|---|---|
| P-6854641 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg | April 6 |
| P-244011 | Chemical Block | Screening Library | 90 | As is | 268 mg | April 11 |
| P-34702437 | Crea-Chim | HTS compounds | 90 | As is | in stock | August 1, 2014 |
| P-503531609 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis | August 21, 2017 |
| P-13297104 | InterBioScreen | Screening Compounds | 92 | As is | in stock | November 2, 2012 |
| P-24048884 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock | August 5, 2013 |
| P-483555442 | Scientific Exchange, Inc. | Virtual Screening Compounds | N/A | As is | by synthesis | February 5, 2016 |
| P-22602239 | TimTec | ActiMol 3 Week | 90 | As is | in stock | April 1, 2014 |
| P-606142626 | Ultimate 3P | Virtual | 90 | As is | by synthesis | April 20, 2020 |
| P-2201480 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 278 mg | April 14 |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 283.281 |
| logP | 1.5837 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 71.53 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 79.7907 |
| Atoms | 34 |
| Rings | 3 |
| Heavy atoms | 21 |
| Hydrogen atoms | 13 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| 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 |
