MCULE-1921363130-0
- 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 | 36 USD | 95 | 26 working days | Get Quote |
5 mg | 36 USD | 95 | 26 working days | Get Quote |
10 mg | 41 USD | 95 | 26 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-5857394728-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1921363130-0.sdf |
SMILES | MCULE-1921363130-0.smiles |
Standard InChI | MCULE-1921363130-0.inchi |
InChIKey | MCULE-1921363130-0.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-852139009 | 95 | As is | by synthesis |
P-889953168 | N/A | As is | by synthesis |
P-851903944 | N/A | As is | by synthesis |
P-901360937 | 95 | As is | by synthesis |
P-591130494 | 95 | As is | by synthesis |
P-454725147 | 90 | As is | in stock |
P-577201302 | 90 | As is | 53 mg |
P-436470477 | 95 | As is | 5 g |
P-861535092 | 95 | As is | by synthesis |
P-502676355 | 90 | As is | in stock |
P-492236077 | 95 | As is | in stock |
P-13061259 | 95 | As is | 188 mg |
P-855976194 | 95 | As is | 5 g |
P-852449434 | N/A | As is | in stock |
P-895519738 | 95 | As is | by synthesis |
P-491187215 | 95 | As is | by synthesis |
P-18975584 | 90 | As is | in stock |
P-33460512 | 90 | As is | in stock |
P-873234956 | 90 | As is | in stock |
P-907227097 | 94 | As is | by resynthesis (? - ? days) |
P-628331 | 90 | As is | 95 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 191.233 |
logP | 2.1884 |
H-bond acceptors | 5 |
H-bond donors | 5 |
Rotatable bonds | 4 |
PSA | 97.78 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 58.2112 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 13 |
Heteroatoms | 5 |
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 | 2 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 2 |
Undefined stereo double bonds | 0 |