Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4444279853
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 | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 36 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.
| Name | File |
|---|---|
| SDF | MCULE-4444279853.sdf |
| SMILES | MCULE-4444279853.smiles |
| Standard InChI | MCULE-4444279853.inchi |
| InChIKey | MCULE-4444279853.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867639532 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875805184 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615719589 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436447220 | Alinda | Building Blocks | 95 | As is | 10 g |
| P-19958840 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851844542 | AmBeed | On request | N/A | As is | by synthesis |
| P-591145046 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
| P-492247451 | ChemBridge | Building Block Library | 95 | As is | in stock |
| P-454693760 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-449242164 | ChemDiv | Discovery Chemistry Library | 90 | As is | 54 mg |
| P-861531275 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-34488170 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580425023 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-864499133 | Eximed | In-stock screening compounds | 90 | As is | 2.2 g |
| P-580088780 | Eximed | Building Block Catalog | 95 | As is | 5.35 g |
| P-579799018 | Eximed | In-stock screening compounds | 90 | As is | 5.35 g |
| P-862037867 | FluoroChem | General BB | N/A | As is | in stock |
| P-492222724 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-502789249 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-488547735 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-13738613 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-596589391 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
| P-588250791 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852397528 | Matrix Scientific | All | N/A | As is | in stock |
| P-854864640 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-12900242 | Otava | In-House Stock Library | 90 | As is | 5.35 g |
| P-492284257 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 2.067 g |
| P-454371054 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-856072380 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 5.35 g |
| P-19156513 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22816449 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502339035 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888432888 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611483016 | Toronto Research | In stock | 90 | As is | in stock |
| P-1041811 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 6.175 g |
| P-3231262 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 6.175 g |
| P-893677533 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 276.712 |
| logP | 3.7401 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 35.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 74.3105 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 13 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
