MCULE-5465944531
- 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 | 90 | 19 working days | Get Quote |
5 mg | 45 USD | 95 | 14 working days | Get Quote |
10 mg | 45 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-5465944531.sdf |
SMILES | MCULE-5465944531.smiles |
Standard InChI | MCULE-5465944531.inchi |
InChIKey | MCULE-5465944531.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886655629 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890177334 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-892784576 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893581013 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 95.65 g |
P-872942047 | AmBeed | In stock | N/A | As is | in stock |
P-888824734 | Angene | Building Blocks in stock | 97 | As is | 1000 mg |
P-889784297 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-872930952 | BLD pharm | In-stock building blocks | 97 | As is | 1000 mg |
P-6866175 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | in stock |
P-454761022 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-619825899 | ChemDiv | Discovery Chemistry Library | 90 | As is | 20 mg |
P-887143017 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34536036 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580780095 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
P-580769202 | Crea-Chim | Prepacked BB compounds with prompt delivery | 95 | As is | in stock |
P-862086209 | FluoroChem | General BB | N/A | As is | in stock |
P-596593110 | Key Organics | Building Blocks | 90 | As is | 500 mg |
P-872796434 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
P-888889698 | PharmaBlock | In stock | N/A | As is | in stock |
P-491133737 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-23884435 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-33464406 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502329965 | TimTec | Building Block Collection | 90 | As is | in stock |
P-1094569 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.84 g |
P-464680156 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.84 g |
P-893998429 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 333.764 |
logP | 3.6417 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 64.63 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 88.4642 |
Atoms | 39 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 16 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |