Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7545047614
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 | 20 working days | Get Quote |
| 5 mg | 7 USD | 97 | 20 working days | Get Quote |
| 10 mg | 7 USD | 97 | 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-7545047614.sdf |
| SMILES | MCULE-7545047614.smiles |
| Standard InChI | MCULE-7545047614.inchi |
| InChIKey | MCULE-7545047614.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867559184 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875719240 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-881671926 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-505390086 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-606902551 | AmBeed | In stock | N/A | As is | in stock |
| P-489123951 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596944642 | Angene | Building Blocks in stock | 97 | As is | 475 g |
| P-895923225 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864155684 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-868591104 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580274620 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-862032754 | FluoroChem | General BB | 98 | As is | in stock |
| P-488555159 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-427888323 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
| P-856040482 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-31249628 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-854739719 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-584622194 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-454375771 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-579448292 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885531613 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-869125517 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-888639088 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
| P-502366804 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-854999441 | Toronto Research | In stock | 90 | As is | in stock |
| P-424781500 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
| P-596544829 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
| P-580085748 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 200.364 |
| logP | 4.2054 |
| H-bond acceptors | 2 |
| H-bond donors | 2 |
| Rotatable bonds | 11 |
| PSA | 52.04 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 65.2128 |
| Atoms | 42 |
| Rings | 0 |
| Heavy atoms | 14 |
| Hydrogen atoms | 28 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
