MCULE-8180886770
- 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 | 47 USD | 90 | 8 working days | Get Quote |
5 mg | 59 USD | N/A | 22 working days | Get Quote |
10 mg | 59 USD | N/A | 22 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-8180886770.sdf |
SMILES | MCULE-8180886770.smiles |
Standard InChI | MCULE-8180886770.inchi |
InChIKey | MCULE-8180886770.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893005973 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-893137115 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-860653054 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-874645195 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-851742092 | AmBeed | On request | N/A | As is | by synthesis |
P-611138860 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-870649146 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-502588106 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-502945814 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-524167422 | Key Organics | Building Blocks | 98 | As is | 100 g |
P-855993060 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
P-579631717 | LabSeeker, Inc | On demand Catalog | 95 | As is | by resynthesis (? - ? days) |
P-854785572 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23969963 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885529369 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33163056 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 1000 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 146.141 |
logP | -1.4942 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 0 |
PSA | 58.92 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 31.2216 |
Atoms | 20 |
Rings | 2 |
Heavy atoms | 10 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |