MCULE-5051712082
- 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 | 19 USD | 92 | 18 working days | Get Quote |
5 mg | 29 USD | 92 | 18 working days | Get Quote |
10 mg | 36 USD | 92 | 18 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-5051712082.sdf |
SMILES | MCULE-5051712082.smiles |
Standard InChI | MCULE-5051712082.inchi |
InChIKey | MCULE-5051712082.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867634019 | 95 | As is | in stock |
P-615730813 | 95 | As is | in stock |
P-851690434 | N/A | As is | by synthesis |
P-596290622 | 90 | As is | 135 mg |
P-901351471 | 95 | As is | by synthesis |
P-563011133 | 95 | As is | in stock |
P-4241393 | 90 | As is | 25 mg |
P-454704551 | 90 | As is | in stock |
P-3696073 | 90 | As is | 180 mg |
P-436455389 | 95 | As is | 5 g |
P-425252694 | 90 | As is | in stock |
P-19979817 | 90 | As is | in stock |
P-34744163 | 90 | As is | in stock |
P-502444636 | 95 | As is | by synthesis |
P-502644425 | 90 | As is | in stock |
P-12487472 | 95 | As is | 300 mg |
P-596591270 | 90 | As is | 5 g |
P-12690843 | 90 | As is | 50 mg |
P-23795039 | 92 | As is | 300 mg |
P-13389801 | 92 | As is | 300 mg |
P-885526282 | 95 | As is | by synthesis |
P-18841038 | 90 | As is | in stock |
P-23917903 | 90 | As is | in stock |
P-579419529 | 90 | As is | in stock |
P-502327210 | 90 | As is | in stock |
P-22444916 | 90 | As is | 20 mg |
P-903627418 | 94 | As is | by resynthesis (? - ? days) |
P-903761629 | 94 | As is | by resynthesis (? - ? days) |
P-855228377 | 90 | As is | in stock |
P-1380766 | 90 | As is | 1.091 g |
P-3236690 | 90 | As is | 1.091 g |
P-24769381 | 90 | As is | 110 mg |
P-1090683 | 90 | As is | 216 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 267.328 |
logP | 2.2184 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 115.95 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 74.8467 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 9 |
Heteroatoms | 6 |
N/O atoms | 4 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |