MCULE-5088088100-0
- 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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MCULE-4649053013-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5088088100-0.sdf |
SMILES | MCULE-5088088100-0.smiles |
Standard InChI | MCULE-5088088100-0.inchi |
InChIKey | MCULE-5088088100-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-643974127 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-454245574 | Specs | Screening Compounds | 90 | As is | 43 mg |
P-674219992 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 5 mg |
P-34558558 | Crea-Chim | HTS compounds | 90 | As a main component | by resynthesis (? - ? days) |
P-617746174 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 116 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 356.887 |
logP | 4.1485 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 23.55 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 107.154 |
Atoms | 50 |
Rings | 3 |
Heavy atoms | 25 |
Hydrogen atoms | 25 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |