Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3553666095
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 | 14 USD | 97 | 20 working days | Get Quote |
| 5 mg | 14 USD | 97 | 20 working days | Get Quote |
| 10 mg | 14 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-3553666095.sdf |
| SMILES | MCULE-3553666095.smiles |
| Standard InChI | MCULE-3553666095.inchi |
| InChIKey | MCULE-3553666095.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867579910 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875739129 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590419224 | AK Scientific | Building Blocks | 98 | As is | in stock |
| P-436453137 | Alinda | Building Blocks | 95 | As is | in stock |
| P-425431288 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-489240589 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596952307 | Angene | Building Blocks in stock | 97 | As is | 60 g |
| P-579787185 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864122358 | AstaTech | In Stock BBs | 96 | As is | in stock |
| P-481166260 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 24 g |
| P-590600193 | BLD pharm | In-stock building blocks | 97 | As is | 6 g |
| P-454623231 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-5683286 | ChemDiv | Discovery Chemistry Library | 90 | As is | 225 mg |
| P-887966873 | Combi-Blocks | Building Block in stock | 96 | As is | in stock |
| P-580315611 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-888750859 | Eximed | In-stock screening compounds | 90 | As is | 5 g |
| P-569433962 | Eximed | Building Block Catalog | 95 | As is | 28.96 g |
| P-569195132 | Eximed | In-stock screening compounds | 90 | As is | 28.96 g |
| P-861979660 | FluoroChem | General BB | N/A | As is | in stock |
| P-505545549 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-502449011 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-503247292 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502945763 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-580005358 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-454383055 | Key Organics | Building Blocks | 95 | As is | 1.476 g |
| P-18801711 | Key Organics | Screening Compounds and Fragments | 95 | As is | 1.476 g |
| P-31277472 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-852406998 | Matrix Scientific | All | N/A | As is | in stock |
| P-855396710 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
| P-620231978 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 28.96 g |
| P-12893165 | Otava | In-House Stock Library | 90 | As is | 28.96 g |
| P-856065032 | Princeton Biomolecular Research | Building Block Stock | 95 | As is | 28.96 g |
| P-18916697 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-23542306 | Specs | Screening Compounds | 90 | As is | 23 mg |
| P-502358753 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855303323 | Toronto Research | In stock | 90 | As is | in stock |
| P-3241220 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 672 mg |
| P-901165976 | XtalPi Inc. | Express Building Blocks | 96 | As is | in stock |
| P-893934542 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 187.241 |
| logP | 2.6525 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 1 |
| PSA | 43.84 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 57.9004 |
| Atoms | 27 |
| Rings | 2 |
| Heavy atoms | 14 |
| Hydrogen atoms | 13 |
| 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 |
