MCULE-3666948173
- 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 | 13 USD | 80 | 11 working days | Get Quote |
5 mg | 13 USD | 80 | 11 working days | Get Quote |
10 mg | 13 USD | 80 | 11 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.
-
1
MCULE-3930900417
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3666948173.sdf |
SMILES | MCULE-3666948173.smiles |
Standard InChI | MCULE-3666948173.inchi |
InChIKey | MCULE-3666948173.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875845396 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-588247466 | AK Scientific | Building Blocks | 80 | As is | in stock |
P-903216521 | Aaron Chemicals LLC | Predominantly Building Block | 98 | As is | 600 g |
P-875905813 | AmBeed | In stock | N/A | As is | in stock |
P-865928253 | Angene | Building Blocks in stock | 98 | As is | 400 g |
P-889788646 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-873437793 | BLD pharm | In-stock building blocks | 98 | As is | 5 g |
P-868564092 | Combi-Blocks | Building Block in stock | 80 | As is | in stock |
P-870653443 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
P-856045790 | LaboTest | Building Blocks | 90 | As is | 10 g |
P-31177407 | LaboTest | Screening Collection | 90 | As is | 10 g |
Property | Value |
---|---|
Components | 2 |
Mass | 458.035 |
logP | 3.0556 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 18.28 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 146.9721 |
Atoms | 65 |
Rings | 4 |
Heavy atoms | 33 |
Hydrogen atoms | 32 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |