MCULE-1681471418
- 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 | 28 USD | 95 | 10 working days | Get Quote |
5 mg | 28 USD | 95 | 10 working days | Get Quote |
10 mg | 28 USD | 95 | 10 working days | Get Quote |
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Name | File |
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SDF | MCULE-1681471418.sdf |
SMILES | MCULE-1681471418.smiles |
Standard InChI | MCULE-1681471418.inchi |
InChIKey | MCULE-1681471418.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867648442 | A2B Chem | Predominantly Building Block in stock | N/A | As is | in stock |
P-875815715 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-34883791 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-585263639 | Apollo Scientific | In Stock | 95 | As is | in stock |
P-503866286 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-856000115 | Key Organics | Screening Compounds and Fragments | 90 | As is | 100 mg |
P-31137671 | LaboTest | Screening Collection | 90 | As is | 1000 mg |
P-856044211 | LaboTest | Building Blocks | 90 | As is | 1000 mg |
P-860790558 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-871068882 | MedKoo | In stock compounds | 95 | As is | in stock |
P-885559689 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-888438693 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 269.504 |
logP | 3.4987 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 59.3498 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 7 |
Heteroatoms | 6 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |