MCULE-6786692164
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-6786692164.sdf |
SMILES | MCULE-6786692164.smiles |
Standard InChI | MCULE-6786692164.inchi |
InChIKey | MCULE-6786692164.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-26239 | Chemical Block | Screening Library | 90 | As is | 2 mg |
P-4773189 | ChemDiv | Discovery Chemistry Library | 90 | As an isomer | 22 mg |
P-18969647 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
P-33432149 | TimTec | ActiMol 3 Week | 90 | As an isomer | in stock |
P-604769 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 102 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 314.335 |
logP | 2.7163 |
H-bond acceptors | 6 |
H-bond donors | 3 |
Rotatable bonds | 6 |
PSA | 91.15 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 87.5407 |
Atoms | 41 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 18 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |