MCULE-5420058418
- 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 | 45 USD | 98 | 22 working days | Get Quote |
5 mg | 45 USD | 98 | 22 working days | Get Quote |
10 mg | 51 USD | 95 | 16 working days | Get Quote |
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Name | File |
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SDF | MCULE-5420058418.sdf |
SMILES | MCULE-5420058418.smiles |
Standard InChI | MCULE-5420058418.inchi |
InChIKey | MCULE-5420058418.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867628691 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875791700 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874643906 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-873294557 | Angene | Building Blocks in stock | 98 | As is | 5 mg |
P-502581261 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-873243415 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-31248703 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-888173801 | Molnova | On demand | 98 | As is | by synthesis |
P-888638999 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869125406 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 298.460 |
logP | 5.3197 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 15 |
PSA | 49.83 |
RO5 violations | 1 |
RO3 violations | 2 |
Refractivity | 89.3828 |
Atoms | 55 |
Rings | 1 |
Heavy atoms | 21 |
Hydrogen atoms | 34 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |