Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4594094994
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 | 16 USD | 95 | 8 working days | Get Quote |
| 5 mg | 16 USD | 95 | 8 working days | Get Quote |
| 10 mg | 16 USD | 95 | 8 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-4594094994.sdf |
| SMILES | MCULE-4594094994.smiles |
| Standard InChI | MCULE-4594094994.inchi |
| InChIKey | MCULE-4594094994.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867582308 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875740952 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869235949 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-610891241 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
| P-436445928 | Alinda | Building Blocks | 95 | As is | 38 g |
| P-881624512 | AmBeed | On request | N/A | As is | by synthesis |
| P-866721846 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-481173900 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 4.5 g |
| P-454691158 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-607694994 | ChemDiv | Discovery Chemistry Library | 90 | As is | 25 mg |
| P-868615653 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-34459701 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580442967 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889110508 | FluoroChem | In Stock BB | N/A | As is | 20 g |
| P-890205766 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-579487435 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | in stock |
| P-502510418 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-579473905 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
| P-580502661 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852396181 | Matrix Scientific | All | N/A | As is | in stock |
| P-500392732 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-23859291 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885535754 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-22660242 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-502363582 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611457319 | Toronto Research | In stock | 90 | As is | in stock |
| P-580449353 | Trans World Chemicals | A-chem Products | 97 | As is | in stock |
| P-1144762 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 113 mg |
| P-615452269 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 207.251 |
| logP | 2.5976 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 70.75 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 57.2145 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| 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 |
