MCULE-8994894459
- 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.
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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.
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1 mg | 10 USD | 98 | 16 working days | Get Quote |
5 mg | 23 USD | 98 | 20 working days | Get Quote |
10 mg | 36 USD | 98 | 16 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-8994894459.sdf |
SMILES | MCULE-8994894459.smiles |
Standard InChI | MCULE-8994894459.inchi |
InChIKey | MCULE-8994894459.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867646615 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-869276059 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-606904344 | AmBeed | In stock | N/A | As is | in stock |
P-596970079 | Angene | Building Blocks in stock | 98 | As is | 4.211 g |
P-864320356 | AstaTech | Backordered BBs | 98 | As is | by synthesis |
P-860799958 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
P-675214931 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-888650407 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869150173 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-611517706 | Toronto Research | In stock | 90 | As is | in stock |
P-886927870 | eNovation Chemicals LLC | Building Block on demand | 97 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 460.973 |
logP | 4.3323 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 8 |
PSA | 107.66 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 130.1916 |
Atoms | 56 |
Rings | 3 |
Heavy atoms | 31 |
Hydrogen atoms | 25 |
Heteroatoms | 8 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 1 |
R/S chiral centers | 1 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 2 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 2 |
Undefined stereo double bonds | 0 |