MCULE-5997361417
- 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 | 32 USD | 95 | 9 working days | Get Quote |
5 mg | 52 USD | 95 | 9 working days | Get Quote |
10 mg | 86 USD | 95 | 9 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-5997361417.sdf |
SMILES | MCULE-5997361417.smiles |
Standard InChI | MCULE-5997361417.inchi |
InChIKey | MCULE-5997361417.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867694060 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875873968 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874604921 | AK Scientific | Building Blocks | N/A | As is | in stock |
P-893605513 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 400 mg |
P-901661731 | AmBeed | In stock | N/A | As is | in stock |
P-895110723 | Angene | Building Blocks in stock | 99 | As is | 200 mg |
P-889796546 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-868545587 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-887186587 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-873248430 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-854717131 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-871075778 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888173264 | Molnova | On demand | 98 | As is | by synthesis |
P-869116078 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892288206 | TargetMol | In Stock BB | 95 | As is | 500 mg |
P-888631735 | TargetMol | Screening Compounds - stock amount | 95 | As is | 500 mg |
P-893667895 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 459.582 |
logP | 5.8378 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 11 |
PSA | 102.04 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 134.7898 |
Atoms | 67 |
Rings | 4 |
Heavy atoms | 34 |
Hydrogen atoms | 33 |
Heteroatoms | 7 |
N/O atoms | 7 |
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 |