MCULE-3875044539
- 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 | 66 USD | 95 | 10 working days | Get Quote |
5 mg | 81 USD | 95 | 42 working days | Get Quote |
10 mg | 81 USD | 95 | 42 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-3875044539.sdf |
SMILES | MCULE-3875044539.smiles |
Standard InChI | MCULE-3875044539.inchi |
InChIKey | MCULE-3875044539.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886746559 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-890183830 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-893432602 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-899945844 | AmBeed | On request | N/A | As is | by synthesis |
P-895919920 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-869403729 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-887189883 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-870647155 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-870647298 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-454405258 | Key Organics | Building Blocks | 95 | As is | 3.058 g |
P-454386718 | Key Organics | Building Blocks | 95 | As is | 4.989 g |
P-454289024 | Key Organics | Screening Compounds and Fragments | 95 | As is | 4.989 g |
P-454323812 | Key Organics | Screening Compounds and Fragments | 95 | As is | 3.058 g |
P-31131085 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-869092001 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-888896420 | PharmaBlock | In stock | N/A | As is | in stock |
P-885541766 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-893965551 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 310.302 |
logP | 3.0293 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 121.45 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 80.1645 |
Atoms | 40 |
Rings | 1 |
Heavy atoms | 22 |
Hydrogen atoms | 18 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |