Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2084559880
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 | 32 USD | 90 | 21 working days | Get Quote |
| 5 mg | 52 USD | 95 | 11 working days | Get Quote |
| 10 mg | 52 USD | 95 | 11 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-2084559880.sdf |
| SMILES | MCULE-2084559880.smiles |
| Standard InChI | MCULE-2084559880.inchi |
| InChIKey | MCULE-2084559880.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-901255845 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869314310 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903030160 | Aaron Chemicals LLC | Predominantly Building Block | 97 | As is | 5 g |
| P-893488991 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 29.804 g |
| P-851581891 | AmBeed | On request | N/A | As is | by synthesis |
| P-873289533 | Angene | Building Blocks in stock | 97 | As is | 5 g |
| P-889775767 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-590905445 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-901520146 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-619929917 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-868648775 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-579804993 | Eximed | In-stock screening compounds | 90 | As is | 12.01 g |
| P-580089852 | Eximed | Building Block Catalog | 95 | As is | 12.01 g |
| P-579510840 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 2.5 g |
| P-890208851 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-502947285 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-502443184 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-601084239 | Life Chemicals | Building Blocks | 95 | As is | 319 mg |
| P-601068524 | Life Chemicals | Screening Compounds | 90 | As is | 319 mg |
| P-895220969 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-617705634 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 12.01 g |
| P-424358649 | Otava | In-House Stock Library | 90 | As is | 12.01 g |
| P-888841652 | PharmaBlock | On demand | N/A | As is | by synthesis |
| P-856072942 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 12.11 g |
| P-519901086 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-873281150 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-611567083 | Toronto Research | In stock | 90 | As is | in stock |
| P-676499822 | Ultimate 3P | Express 1 | 90 | As is | by synthesis |
| P-575307739 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 152.194 |
| logP | 1.34978 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 52.89 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 41.2067 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| 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 |
