MCULE-3397888586
- 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-3397888586.sdf |
SMILES | MCULE-3397888586.smiles |
Standard InChI | MCULE-3397888586.inchi |
InChIKey | MCULE-3397888586.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893041349 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596407877 | Asinex | General screening catalog | 90 | As is | 3 mg |
P-502604385 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-12923636 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-12502572 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-18839413 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-2272727 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 105 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 452.498 |
logP | 2.4955 |
H-bond acceptors | 8 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 99.54 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 129.6443 |
Atoms | 61 |
Rings | 4 |
Heavy atoms | 33 |
Hydrogen atoms | 28 |
Heteroatoms | 8 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |