MCULE-1658311045
- 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 | 90 | 26 working days | Get Quote |
5 mg | 36 USD | 90 | 26 working days | Get Quote |
10 mg | 41 USD | 90 | 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-4011298691
- Component type: Main
-
MCULE-3513550538
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1658311045.sdf |
SMILES | MCULE-1658311045.smiles |
Standard InChI | MCULE-1658311045.inchi |
InChIKey | MCULE-1658311045.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867627665 | 95 | As is | in stock |
P-901196353 | N/A | As is | by synthesis |
P-612940447 | 95 | As is | in stock |
P-903143232 | 95 | As is | 5 g |
P-851488340 | N/A | As is | by synthesis |
P-589656803 | 95 | As is | by resynthesis (? - ? days) |
P-596453398 | 90 | As is | 1000 mg |
P-596497328 | 90 | As is | 1000 mg |
P-864216118 | 98 | As is | by synthesis |
P-590773704 | 95 | As is | by synthesis |
P-492265789 | 90 | As is | in stock |
P-504739389 | 90 | As is | 1 mg |
P-619928693 | 90 | As is | by synthesis |
P-861275124 | 95 | As is | in stock |
P-868581348 | 95 | As is | in stock |
P-580376957 | N/A | As is | by resynthesis (? - ? days) |
P-890217493 | 90 | As is | in stock |
P-590339924 | 90 | As is | 1000 mg |
P-492222950 | 95 | As is | in stock |
P-563668391 | 90 | As is | 1000 mg |
P-852386963 | N/A | As is | in stock |
P-869024714 | 95 | As is | by synthesis |
P-12915387 | 90 | As is | 994 mg |
P-492284889 | 90 | As is | 994 mg |
P-519834427 | 90 | As is | in stock |
P-502334534 | 90 | As is | in stock |
P-906865423 | 97 | As is | by synthesis |
P-611394559 | 90 | As is | in stock |
P-1575902 | 90 | As is | 120 mg |
P-893672935 | 95 | As is | by synthesis |
P-893152510 | N/A | As a main component | by synthesis |
P-853438647 | 95 | As a main component | in stock |
P-851855586 | N/A | As a main component | by synthesis |
P-489128117 | 97 | As a main component | in stock |
P-901347138 | 95 | As a main component | by synthesis |
P-591001686 | 95 | As a main component | by synthesis |
P-619302212 | 90 | As a main component | 14 mg |
P-617323971 | 90 | As a main component | in stock |
P-1263263764 | 95 | As a main component | by synthesis |
P-34729249 | 90 | As a main component | in stock |
P-580788372 | 90 | As a main component | by resynthesis (? - ? days) |
P-895677740 | 95 | As a main component | by synthesis |
P-502440925 | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 196.332 |
logP | 2.7721 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 29.26 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 65.1264 |
Atoms | 38 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 24 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |