MCULE-5413341907
- 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 | 35 USD | 95 | 14 working days | Get Quote |
5 mg | 35 USD | 95 | 14 working days | Get Quote |
10 mg | 41 USD | 95 | 14 working days | Get Quote |
- 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-5413341907.sdf |
SMILES | MCULE-5413341907.smiles |
Standard InChI | MCULE-5413341907.inchi |
InChIKey | MCULE-5413341907.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886621994 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889931508 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-613850407 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893600594 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1000 mg |
P-436449987 | Alinda | Building Blocks | 95 | As is | 2 g |
P-851508772 | AmBeed | On request | N/A | As is | by synthesis |
P-889798299 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590836865 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-619927819 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-861538463 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34459356 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580766473 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580777155 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-861945687 | FluoroChem | General BB | N/A | As is | in stock |
P-855970816 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-580485633 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852404856 | Matrix Scientific | All | N/A | As is | in stock |
P-854845049 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-888841423 | PharmaBlock | On demand | N/A | As is | by synthesis |
P-23859222 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491129339 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33466289 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502343109 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611573966 | Toronto Research | In stock | 90 | As is | in stock |
P-1144472 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.127 g |
P-596528178 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.127 g |
P-893735276 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 168.197 |
logP | 0.581 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 72.94 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 43.9371 |
Atoms | 24 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |