MCULE-5955779448
- 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.
|
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.
|
|
---|---|---|---|---|
1 mg | 39 USD | 95 | 9 working days | Get Quote |
5 mg | 63 USD | 95 | 9 working days | Get Quote |
10 mg | 89 USD | 95 | 9 working days | Get Quote |
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
Name | File |
---|---|
SDF | MCULE-5955779448.sdf |
SMILES | MCULE-5955779448.smiles |
Standard InChI | MCULE-5955779448.inchi |
InChIKey | MCULE-5955779448.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892864187 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-851480954 | AmBeed | On request | N/A | As is | by synthesis |
P-489155845 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-590925714 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-893228328 | Biosynth | In Stock | 95 | As is | in stock |
P-861339540 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580417702 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-579674304 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-31177744 | LaboTest | Screening Collection | 90 | As is | 30 mg |
P-899993408 | MedChemExpress | Natural Products on demand | 95 | As is | by synthesis |
P-888172386 | Molnova | On demand | 98 | As is | by synthesis |
P-500391905 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-892274948 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-869178599 | TargetMol | Natural Products | 95 | As is | in stock |
P-892351299 | TargetMol | Screening Compounds - stock amount | 95 | As is | 74 mg |
P-22529666 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 450 mg |
P-611378627 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 254.236 |
logP | 2.8712 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 1 |
PSA | 70.67 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 71.966 |
Atoms | 29 |
Rings | 3 |
Heavy atoms | 19 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |