Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6800666719
Compound
Show structures
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 | 20 USD | N/A | 9 working days | Get Quote |
| 5 mg | 20 USD | N/A | 9 working days | Get Quote |
| 10 mg | 20 USD | N/A | 9 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-7686295927
- Component type: Main
-
MCULE-5136522026
- Component type: Main
-
MCULE-7901281758
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-6800666719.sdf |
| SMILES | MCULE-6800666719.smiles |
| Standard InChI | MCULE-6800666719.inchi |
| InChIKey | MCULE-6800666719.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867308176 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
| P-869296935 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-853430243 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436452918 | Alinda | Building Blocks | 95 | As is | 25 g |
| P-578527146 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606848610 | AmBeed | In stock | N/A | As is | in stock |
| P-851524777 | AmBeed | On request | N/A | As is | by synthesis |
| P-865904733 | Angene | Building Blocks in stock | 95 | As is | 30 g |
| P-864124907 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-901541756 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-893229574 | Biosynth | In Stock | 95 | As is | in stock |
| P-563021318 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-531919167 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
| P-577133154 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-10541211 | ChemDiv | Discovery Chemistry Library | 90 | As is | 934 mg |
| P-580440558 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862043133 | FluoroChem | General BB | N/A | As is | in stock |
| P-503007832 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502716327 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-492221095 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-596585747 | Key Organics | Building Blocks | 90 | As is | 5 g |
| P-588252460 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-492273474 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.068 g |
| P-12306604 | Otava | In-House Stock Library | 90 | As is | 1.068 g |
| P-18850085 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885516104 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23325536 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-502338287 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855042260 | Toronto Research | In stock | 90 | As is | in stock |
| P-855104755 | Toronto Research | In stock | 90 | As is | in stock |
| P-3215436 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 6.944 g |
| P-1035204 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 6.944 g |
| P-893988929 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-504021253 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-504021759 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| P-504022139 | Innovapharm | Virtual Screening Compounds | 90 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.236 |
| logP | 2.1917 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 55.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 60.9028 |
| Atoms | 30 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 14 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
