MCULE-2716754415-0
- 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 | 9 USD | 97 | 20 working days | Get Quote |
5 mg | 9 USD | 97 | 20 working days | Get Quote |
10 mg | 9 USD | 97 | 20 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-2716754415-0.sdf |
SMILES | MCULE-2716754415-0.smiles |
Standard InChI | MCULE-2716754415-0.inchi |
InChIKey | MCULE-2716754415-0.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867659786 | 97 | As is | in stock |
P-875828613 | N/A | As is | in stock |
P-869243796 | 95 | As is | in stock |
P-903203722 | 97 | As is | 2 g |
P-610994859 | 90 | As is | 3.061 g |
P-606905303 | N/A | As is | in stock |
P-596972116 | 97 | As is | 750 mg |
P-895945753 | 95 | As is | by resynthesis (? - ? days) |
P-864172595 | 97 | As is | in stock |
P-580731323 | 97 | As is | 1.25 g |
P-5467948 | 90 | As is | 50 mg |
P-889032402 | 98 | As is | in stock |
P-862127302 | 97 | As is | 1.65 g |
P-605335729 | 90 | As is | in stock |
P-492226631 | 95 | As is | in stock |
P-18690391 | 90 | As is | 4.342 g |
P-454401844 | 90 | As is | 4.342 g |
P-852541045 | N/A | As is | in stock |
P-855397422 | 95 | As is | in stock |
P-424187297 | 90 | As is | 1000 mg |
P-424953744 | 90 | As is | in stock |
P-596786244 | 97 | As is | 2.7 g |
P-33982284 | 90 | As is | in stock |
P-502378135 | 90 | As is | in stock |
P-906818677 | 97 | As is | by synthesis |
P-855236679 | 90 | As is | in stock |
P-615413657 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 298.337 |
logP | 4.505 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 34.89 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 91.8935 |
Atoms | 37 |
Rings | 4 |
Heavy atoms | 23 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |