MCULE-9543411772-0
- 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 | 30 USD | 97 | 8 working days | Get Quote |
5 mg | 30 USD | 97 | 8 working days | Get Quote |
10 mg | 30 USD | 97 | 8 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.
-
1
MCULE-2384366401-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9543411772-0.sdf |
SMILES | MCULE-9543411772-0.smiles |
Standard InChI | MCULE-9543411772-0.inchi |
InChIKey | MCULE-9543411772-0.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-904029077 | N/A | As is | by synthesis |
P-869274709 | 95 | Main component | in stock |
P-610981560 | 90 | Main component | 103.092 g |
P-606919154 | N/A | Main component | in stock |
P-494331136 | 95 | Main component | by resynthesis (? - ? days) |
P-864207003 | 95 | Main component | in stock |
P-590633115 | 97 | Main component | 6.35 g |
P-901493332 | 95 | Main component | by synthesis |
P-907302768 | 95 | Main component | by synthesis |
P-868580729 | 96 | Main component | in stock |
P-580439393 | 95 | Main component | by resynthesis (? - ? days) |
P-905354197 | 97 | Main component | 500 mg |
P-860783864 | N/A | Main component | in stock |
P-889737935 | 95 | Main component | unavailable |
P-904639625 | 95 | Main component | in stock |
P-872682732 | 95 | Main component | in stock |
P-888864068 | N/A | Main component | in stock |
P-889881309 | 95 | Main component | by synthesis |
P-596749640 | 97 | Main component | 12.75 g |
Property | Value |
---|---|
Components | 2 |
Mass | 294.860 |
logP | 5.0937 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 12 |
PSA | 64.35 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 83.5981 |
Atoms | 50 |
Rings | 0 |
Heavy atoms | 19 |
Hydrogen atoms | 31 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |