MCULE-1100638827
- 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 | 27 USD | 95 | 7 working days | Get Quote |
5 mg | 70 USD | 98 | 13 working days | Get Quote |
10 mg | 140 USD | 95 | 14 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-1100638827.sdf |
SMILES | MCULE-1100638827.smiles |
Standard InChI | MCULE-1100638827.inchi |
InChIKey | MCULE-1100638827.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867624000 | 95 | As is | in stock |
P-875786577 | N/A | As is | in stock |
P-595215840 | 98 | As is | in stock |
P-903136196 | 98 | As is | 50 mg |
P-904320320 | 90 | As is | 1.985 g |
P-851662269 | N/A | As is | by synthesis |
P-875890336 | 98 | As is | 50 mg |
P-872722750 | 98 | As is | in stock |
P-889497187 | 95 | As is | by synthesis |
P-860056182 | 98 | As is | by synthesis |
P-591017356 | 97 | As is | by synthesis |
P-579480772 | 95 | As is | in stock |
P-675215669 | 95 | As is | in stock |
P-873250129 | 97 | As is | 50 mg |
P-1263155724 | 95 | As is | by synthesis |
P-854721919 | 95 | As is | in stock |
P-584619510 | 95 | As is | in stock |
P-26538380 | 90 | As is | 3 mg |
P-869119279 | 95 | As is | by synthesis |
P-904245791 | 95 | As is | unavailable |
P-888634212 | 95 | As is | 33 mg |
P-611456404 | 90 | As is | in stock |
P-854664063 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 520.576 |
logP | 4.6201 |
H-bond acceptors | 8 |
H-bond donors | 0 |
Rotatable bonds | 11 |
PSA | 121.5 |
RO5 violations | 1 |
RO3 violations | 5 |
Refractivity | 138.4285 |
Atoms | 62 |
Rings | 4 |
Heavy atoms | 37 |
Hydrogen atoms | 25 |
Heteroatoms | 10 |
N/O atoms | 8 |
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 |