MCULE-1599306767
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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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 | 37 USD | 90 | 22 working days | Get Quote |
5 mg | 45 USD | 90 | 22 working days | Get Quote |
10 mg | 60 USD | 90 | 22 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-1599306767.sdf |
SMILES | MCULE-1599306767.smiles |
Standard InChI | MCULE-1599306767.inchi |
InChIKey | MCULE-1599306767.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-596303217 | Asinex | General screening catalog | 90 | As is | 78 mg |
P-4466901 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-3880441 | ChemDiv | Discovery Chemistry Library | 90 | As is | 3 mg |
P-504610420 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-888371967 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 492.655 |
logP | 6.6457 |
H-bond acceptors | 7 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 100.75 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 136.61 |
Atoms | 65 |
Rings | 4 |
Heavy atoms | 33 |
Hydrogen atoms | 32 |
Heteroatoms | 9 |
N/O atoms | 7 |
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 |