Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6408981105-0
Structure
Show compound
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 | 163 USD | 96 | 12 working days | Get Quote |
| 5 mg | 163 USD | 96 | 12 working days | Get Quote |
| 10 mg | 163 USD | 96 | 12 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- 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.
-
1
MCULE-7391942405-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6408981105-0.sdf |
| SMILES | MCULE-6408981105-0.smiles |
| Standard InChI | MCULE-6408981105-0.inchi |
| InChIKey | MCULE-6408981105-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-615725758 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-866100671 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | unavailable |
| P-851837195 | AmBeed | On request | N/A | As is | by synthesis |
| P-590987799 | BLD pharm | Non-stock building blocks | 96 | As is | by synthesis |
| P-851288625 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861274174 | Chiralstar | Chiralstar Building Blocks | 95 | As is | in stock |
| P-500155027 | J&W Pharmlab | In-stock compounds | 96 | As is | in stock |
| P-454316739 | Key Organics | Screening Compounds and Fragments | 90 | As is | unavailable |
| P-856077779 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-852453152 | Matrix Scientific | All | N/A | As is | in stock |
| P-854938897 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-611572450 | Toronto Research | In stock | 90 | As is | in stock |
| P-615462576 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-852106438 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-875811814 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-853425222 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-893613772 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 11.1 g |
| P-851391892 | AmBeed | On request | N/A | Main component | by synthesis |
| P-590715343 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-851288626 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-500155026 | J&W Pharmlab | In-stock compounds | 96 | Main component | in stock |
| P-856078436 | LabSeeker, Inc | Stock Collection | 97 | Main component | in stock |
| P-864074965 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-667010506 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| P-33409179 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 201.652 |
| logP | 2.6756 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 71.13 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 55.5028 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
