Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2192522674-0
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 | 70 USD | 90 | 22 working days | Get Quote |
| 5 mg | 102 USD | 90 | 22 working days | Get Quote |
| 10 mg | 140 USD | 90 | 22 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-4687745366-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2192522674-0.sdf |
| SMILES | MCULE-2192522674-0.smiles |
| Standard InChI | MCULE-2192522674-0.inchi |
| InChIKey | MCULE-2192522674-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-612883058 | A2B Chem | Predominantly Building Block on demand | 98 | As is | by synthesis |
| P-890037968 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-874618537 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-893518476 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 2.75 g |
| P-899942493 | AmBeed | On request | N/A | As is | by synthesis |
| P-596935103 | Angene | Building Blocks in stock | 98 | As is | 750 mg |
| P-864200416 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-666901408 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
| P-674244074 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
| P-889409204 | FluoroChem | General BB | 98 | As is | in stock |
| P-855916427 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-854954401 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-615411027 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 237.367 |
| logP | 2.2192 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 54.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 72.417 |
| Atoms | 35 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 19 |
| Heteroatoms | 4 |
| 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 |
