Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2753945806
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 20 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-2753945806.sdf |
| SMILES | MCULE-2753945806.smiles |
| Standard InChI | MCULE-2753945806.inchi |
| InChIKey | MCULE-2753945806.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867661035 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875830028 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869194219 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-575539792 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-872941740 | AmBeed | In stock | N/A | As is | in stock |
| P-489173236 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596990184 | Angene | Building Blocks in stock | 98 | As is | 9.5 kg |
| P-864163043 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-892504965 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 225 g |
| P-872930636 | BLD pharm | In-stock building blocks | 98 | As is | 625 g |
| P-868613887 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580439924 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889300241 | FluoroChem | General BB | N/A | As is | in stock |
| P-488550785 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-524165330 | Key Organics | Building Blocks | 98 | As is | 5 g |
| P-579616792 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-856040370 | LaboTest | Building Blocks | 90 | As is | 10 g |
| P-31277300 | LaboTest | Screening Collection | 90 | As is | 10 g |
| P-854807587 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-620224262 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
| P-620069543 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
| P-454372125 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-605215124 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885528825 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502369380 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611418273 | Toronto Research | In stock | 90 | As is | in stock |
| P-35134713 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| P-464681968 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
| P-575294726 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 144.168 |
| logP | 0.9171 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 43.37 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 37.248 |
| Atoms | 22 |
| Rings | 0 |
| Heavy atoms | 10 |
| 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 |
