MCULE-5240944926
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
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1 mg | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 52 USD | 90 | 17 working days | Get Quote |
10 mg | 67 USD | 90 | 17 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-5240944926.sdf |
SMILES | MCULE-5240944926.smiles |
Standard InChI | MCULE-5240944926.inchi |
InChIKey | MCULE-5240944926.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893063946 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596426953 | Asinex | General screening catalog | 90 | As is | 136 mg |
P-502659894 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-503062817 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-12536604 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-18879612 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-888355378 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-2289024 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 102 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 427.468 |
logP | 3.0873 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 9 |
PSA | 82.97 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 117.5223 |
Atoms | 57 |
Rings | 3 |
Heavy atoms | 31 |
Hydrogen atoms | 26 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |