Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7593398920
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 | 46 USD | 90 | 21 working days | Get Quote |
| 5 mg | 66 USD | 90 | 30 working days | Get Quote |
| 10 mg | 72 USD | 95 | 21 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.
-
MCULE-6726726302
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-7593398920.sdf |
| SMILES | MCULE-7593398920.smiles |
| Standard InChI | MCULE-7593398920.inchi |
| InChIKey | MCULE-7593398920.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-889902101 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869231117 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-893542448 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 38.75 g |
| P-873289604 | Angene | Building Blocks in stock | 97 | As is | 1000 mg |
| P-889801281 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-580277713 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-890211973 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-579523163 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1 mg |
| P-856090842 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-492274065 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 2.4 g |
| P-12389551 | Otava | In-House Stock Library | 90 | As is | 2.4 g |
| P-611580847 | Toronto Research | In stock | 90 | As is | in stock |
| P-872753747 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 181.231 |
| logP | 1.9053 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 44.48 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 51.9064 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 15 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
