MCULE-2131001231-0
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 45 USD | 85 | 22 working days | Get Quote |
10 mg | 60 USD | 85 | 22 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-2131001231-0.sdf |
SMILES | MCULE-2131001231-0.smiles |
Standard InChI | MCULE-2131001231-0.inchi |
InChIKey | MCULE-2131001231-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892979553 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596314591 | Asinex | General screening catalog | 90 | As is | 551 mg |
P-4326028 | ChemBridge | EXPRESS-Pick Collection | 85 | As is | 100 mg |
P-3300043 | ChemDiv | Discovery Chemistry Library | 90 | As is | 76 mg |
P-492221416 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502593916 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-12374491 | InterBioScreen | Screening Compounds | 92 | As is | 190 mg |
P-31132070 | LaboTest | Screening Collection | 90 | As is | 250 mg |
P-35201607 | Maybridge | Screening Collection | 90 | As is | 1.516 kg |
P-12512230 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-18828105 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491075774 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502355617 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888362568 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-1029956 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 159 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 345.389 |
logP | 3.082 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 84.86 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 97.3397 |
Atoms | 48 |
Rings | 2 |
Heavy atoms | 25 |
Hydrogen atoms | 23 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |