MCULE-2279977706
- 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 | 166 USD | 90 | 25 working days | Get Quote |
5 mg | 233 USD | 90 | 25 working days | Get Quote |
10 mg | 266 USD | 90 | 25 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-2279977706.sdf |
SMILES | MCULE-2279977706.smiles |
Standard InChI | MCULE-2279977706.inchi |
InChIKey | MCULE-2279977706.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-869891787 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-866711668 | Chemshuttle | Stock catalog | 95 | As is | 1.5 g |
P-887207764 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-875649560 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 405.406 |
logP | 2.9823 |
H-bond acceptors | 9 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 125.12 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 110.8076 |
Atoms | 49 |
Rings | 4 |
Heavy atoms | 30 |
Hydrogen atoms | 19 |
Heteroatoms | 9 |
N/O atoms | 9 |
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 |