Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3348726925
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 | 33 USD | 90 | 23 working days | Get Quote |
| 5 mg | 54 USD | 90 | 23 working days | Get Quote |
| 10 mg | 68 USD | 90 | 23 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.
| Name | File |
|---|---|
| SDF | MCULE-3348726925.sdf |
| SMILES | MCULE-3348726925.smiles |
| Standard InChI | MCULE-3348726925.inchi |
| InChIKey | MCULE-3348726925.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867373230 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-894645656 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-851823349 | AmBeed | On request | N/A | As is | by synthesis |
| P-596424457 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-596493808 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-590991681 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-6661992 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-619314432 | ChemDiv | Discovery Chemistry Library | 90 | As is | 1 mg |
| P-428581801 | Eximed | In-stock screening compounds | 90 | As is | 5 mg |
| P-579799338 | Eximed | In-stock screening compounds | 90 | As is | 1.78 g |
| P-569433721 | Eximed | Building Block Catalog | 95 | As is | 1.78 g |
| P-580005233 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502959883 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-852382883 | Matrix Scientific | All | N/A | As is | in stock |
| P-864016564 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-34008516 | Otava | In-House Stock Library | 90 | As is | 2.78 g |
| P-620216664 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 2.78 g |
| P-856071788 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 2.78 g |
| P-19361124 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-502348637 | TimTec | Building Block Collection | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 237.208 |
| logP | 0.4181 |
| H-bond acceptors | 6 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 84.86 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 56.5065 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 6 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
