MCULE-7045978421-1
- 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 | 91 USD | 98 | 17 working days | Get Quote |
10 mg | 91 USD | 98 | 17 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.
-
MCULE-3734068931-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7045978421-1.sdf |
SMILES | MCULE-7045978421-1.smiles |
Standard InChI | MCULE-7045978421-1.inchi |
InChIKey | MCULE-7045978421-1.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893146568 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-893184440 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-893184349 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-608498875 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-870662802 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
P-524167573 | Key Organics | Building Blocks | 95 | As is | 250 mg |
P-31194957 | LaboTest | Screening Collection | 90 | As is | 200 mg |
P-597053969 | Ramidus | In stock compounds | 95 | As is | in stock |
P-33163200 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 244 mg |
P-893147632 | A2B Chem | Predominantly Building Block on demand | N/A | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 650.973 |
logP | 4.653 |
H-bond acceptors | 5 |
H-bond donors | 3 |
Rotatable bonds | 5 |
PSA | 92.78 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 112.1912 |
Atoms | 35 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 12 |
Heteroatoms | 8 |
N/O atoms | 5 |
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 |