MCULE-1342812220
- 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 | 95 | 26 working days | Get Quote |
5 mg | 36 USD | 95 | 26 working days | Get Quote |
10 mg | 41 USD | 95 | 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.
Name | File |
---|---|
SDF | MCULE-1342812220.sdf |
SMILES | MCULE-1342812220.smiles |
Standard InChI | MCULE-1342812220.inchi |
InChIKey | MCULE-1342812220.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867315677 | 95 | As is | by synthesis |
P-889950075 | N/A | As is | by synthesis |
P-894666874 | 95 | As is | in stock |
P-851599263 | N/A | As is | by synthesis |
P-901349368 | 95 | As is | by synthesis |
P-590843573 | 95 | As is | by synthesis |
P-504734888 | 85 | As is | 5 mg |
P-454632548 | 90 | As is | in stock |
P-454758862 | 90 | As is | in stock |
P-584577052 | 90 | As is | 4.995 g |
P-436441829 | 90 | As is | 8.8 g |
P-273706 | 90 | As is | 1.157 g |
P-436449736 | 95 | As is | 10 g |
P-19939973 | 90 | As is | in stock |
P-861532928 | 95 | As is | by synthesis |
P-34525607 | 90 | As is | in stock |
P-580778489 | 90 | As is | by resynthesis (? - ? days) |
P-580767721 | 90 | As is | in stock |
P-596590312 | 90 | As is | 5 g |
P-580469687 | N/A | As is | by synthesis |
P-852399767 | N/A | As is | in stock |
P-854879035 | 95 | As is | by synthesis |
P-491130901 | 95 | As is | by synthesis |
P-23859006 | 90 | As is | in stock |
P-33488565 | 90 | As is | in stock |
P-502336531 | 90 | As is | in stock |
P-22559800 | 90 | As is | 4 mg |
P-903624596 | 94 | As is | by resynthesis (? - ? days) |
P-855214242 | 90 | As is | in stock |
P-3234504 | 90 | As is | 2.26 g |
P-1122533 | 90 | As is | 2.26 g |
Property | Value |
---|---|
Components | 1 |
Mass | 235.145 |
logP | 1.6451 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 100.94 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 48.9238 |
Atoms | 23 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 7 |
Heteroatoms | 9 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |