MCULE-2326927098
- InChIKey:
- SMILES:
- InChI:
- Formula:
Amount | Price
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Guaranteed purity (%) | Delivery time
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1 mg | 35 USD | 90 | 19 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-2326927098.sdf |
SMILES | MCULE-2326927098.smiles |
Standard InChI | MCULE-2326927098.inchi |
InChIKey | MCULE-2326927098.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-43536 | Chemical Block | Screening Library | 90 | As is | 224 mg |
P-4518972 | ChemBridge | EXPRESS-Pick Collection | 90 | As an isomer | 100 mg |
P-619277176 | ChemDiv | Discovery Chemistry Library | 90 | As an isomer | 19 mg |
P-34827625 | Crea-Chim | HTS compounds | 90 | As an isomer | by resynthesis (? - ? days) |
P-504186190 | Innovapharm | Virtual Screening Compounds | 90 | As an isomer | by synthesis |
P-24085429 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
P-12429485 | Specs | Screening Compounds | 90 | As an isomer | 230 mg |
P-22470792 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 41 mg |
P-1815175 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 70 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 409.285 |
logP | 5.1482 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 5 |
PSA | 96.71 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 109.6224 |
Atoms | 40 |
Rings | 3 |
Heavy atoms | 26 |
Hydrogen atoms | 14 |
Heteroatoms | 8 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 0 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 0 |
Stereo double bonds | 2 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 1 |