MCULE-6602900637
- 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 | 39 USD | 98 | 16 working days | Get Quote |
5 mg | 120 USD | 95 | 14 working days | Get Quote |
10 mg | 151 USD | 98 | 8 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-6602900637.sdf |
SMILES | MCULE-6602900637.smiles |
Standard InChI | MCULE-6602900637.inchi |
InChIKey | MCULE-6602900637.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867548104 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875704808 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-888934636 | AmBeed | In stock | N/A | As is | in stock |
P-873289559 | Angene | Building Blocks in stock | 97 | As is | 300 mg |
P-872726105 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-869420323 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-868543734 | Axon Medchem | Axon predominantly SC catalog | 98 | As is | in stock |
P-580451392 | CliniSciences S.A.S | All products | 99 | As is | in stock |
P-887323251 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-868660145 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-873247667 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-854719304 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584620641 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888640929 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869128087 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-868519699 | eNovation Chemicals LLC | Building Blocks in stock | 99 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 438.559 |
logP | 6.4848 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 52.9 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 142.2743 |
Atoms | 63 |
Rings | 5 |
Heavy atoms | 33 |
Hydrogen atoms | 30 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |