Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2499545842
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 | 7 USD | 97 | 14 working days | Get Quote |
| 5 mg | 7 USD | 97 | 14 working days | Get Quote |
| 10 mg | 7 USD | 97 | 14 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-2499545842.sdf |
| SMILES | MCULE-2499545842.smiles |
| Standard InChI | MCULE-2499545842.inchi |
| InChIKey | MCULE-2499545842.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867571535 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875731870 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869183380 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-579761831 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-903061458 | Aaron Chemicals LLC | Predominantly Building Block | 97 | As is | 1000 g |
| P-606862934 | AmBeed | In stock | N/A | As is | in stock |
| P-489181917 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596949686 | Angene | Building Blocks in stock | 98 | As is | 1.5 kg |
| P-494418677 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864163268 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-590637952 | BLD pharm | In-stock building blocks | 97 | As is | 55 g |
| P-868649423 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580272781 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861920035 | FluoroChem | General BB | N/A | As is | in stock |
| P-488549418 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-579453176 | Key Organics | Building Blocks | 97 | As is | 100 g |
| P-579637489 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-854766306 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-454368137 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-500402618 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
| P-885523829 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23969524 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-611379312 | Toronto Research | In stock | 90 | As is | in stock |
| P-2377504 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | unavailable |
| P-3227950 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | unavailable |
| P-575293661 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 187.062 |
| logP | 3.3478 |
| H-bond acceptors | 0 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 0.0 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 48.538 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 8 |
| Heteroatoms | 2 |
| N/O atoms | 0 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |
