Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2040082133
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 | 61 USD | 90 | 21 working days | Get Quote |
| 5 mg | 94 USD | 95 | 21 working days | Get Quote |
| 10 mg | 94 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-2040082133.sdf |
| SMILES | MCULE-2040082133.smiles |
| Standard InChI | MCULE-2040082133.inchi |
| InChIKey | MCULE-2040082133.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886538330 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875716010 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-903044278 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 5 g |
| P-866100005 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | 31 g |
| P-489140416 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-585321641 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864233560 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-901549553 | Biosynth | Synthesis | 95 | As is | by synthesis |
| P-861396876 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-890216969 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-590339398 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
| P-855912360 | Key Organics | Building Blocks | 95 | As is | unavailable |
| P-852538257 | Matrix Scientific | All | N/A | As is | in stock |
| P-854840893 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-492279062 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.76 g |
| P-26427512 | Otava | In-House Stock Library | 90 | As is | 1.76 g |
| P-500403806 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-859993998 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-19176607 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-505616431 | Ramidus | In stock compounds | 95 | As is | in stock |
| P-855218273 | Toronto Research | In stock | 90 | As is | in stock |
| P-893764801 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 243.097 |
| logP | 2.6613 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.8055 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 11 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
