Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5894690545
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 41 USD | 95 | 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-5894690545.sdf |
| SMILES | MCULE-5894690545.smiles |
| Standard InChI | MCULE-5894690545.inchi |
| InChIKey | MCULE-5894690545.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867627376 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875790321 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-613855668 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-578527165 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436452933 | Alinda | Building Blocks | 95 | As is | 25 g |
| P-489192065 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-864086647 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-504689886 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
| P-454631294 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-449699890 | ChemDiv | New Chemistry Library | 90 | As is | 27.995 g |
| P-1121 | Chemical Block | Building Blocks | 90 | As is | 85 g |
| P-162141 | Chemical Block | Screening Library | 90 | As is | 722 mg |
| P-34467389 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580428273 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889350599 | FluoroChem | General BB | N/A | As is | in stock |
| P-861955083 | FluoroChem | General BB | N/A | As is | in stock |
| P-502476720 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-488544635 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-14007915 | InterBioScreen | Natural Compounds | 92 | As is | 300 mg |
| P-563443357 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
| P-454383079 | Key Organics | Building Blocks | 95 | As is | 3.05 g |
| P-18737425 | Key Organics | Screening Compounds and Fragments | 95 | As is | 3.05 g |
| P-580499997 | Manchester Organics | Compounds on demand | 95 | As is | by synthesis |
| P-852406855 | Matrix Scientific | All | N/A | As is | in stock |
| P-854885523 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-454364208 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-23567360 | Pharmeks LLC | Semi-natural compounds | 92 | As is | in stock |
| P-23837219 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885520188 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502327233 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22462903 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 340 mg |
| P-611380839 | Toronto Research | In stock | 90 | As is | in stock |
| P-440536 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.533 g |
| P-3229047 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.533 g |
| P-872754330 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 271.310 |
| logP | 3.4404 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 6 |
| PSA | 72.55 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 76.4802 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
