MCULE-6442861957
- 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 | 67 USD | 90 | 10 working days | Get Quote |
5 mg | 83 USD | 90 | 10 working days | Get Quote |
10 mg | 113 USD | 90 | 10 working days | Get Quote |
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Name | File |
---|---|
SDF | MCULE-6442861957.sdf |
SMILES | MCULE-6442861957.smiles |
Standard InChI | MCULE-6442861957.inchi |
InChIKey | MCULE-6442861957.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-894627631 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851398859 | AmBeed | On request | N/A | As is | by synthesis |
P-611007631 | BLD pharm | Non-stock building blocks | 90 | As is | by synthesis |
P-6649373 | ChemDiv | Discovery Chemistry Library | 90 | As is | 90 mg |
P-18775924 | Key Organics | Screening Compounds and Fragments | 90 | As is | 979 mg |
P-637474266 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-33321783 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 400.498 |
logP | 4.7337 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 8 |
PSA | 85.11 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 115.6187 |
Atoms | 49 |
Rings | 4 |
Heavy atoms | 29 |
Hydrogen atoms | 20 |
Heteroatoms | 6 |
N/O atoms | 5 |
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 |