MCULE-1976719994
- 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-1976719994.sdf |
SMILES | MCULE-1976719994.smiles |
Standard InChI | MCULE-1976719994.inchi |
InChIKey | MCULE-1976719994.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-852103279 | 95 | As is | by synthesis |
P-901274281 | N/A | As is | in stock |
P-615721089 | 95 | As is | in stock |
P-851636948 | N/A | As is | by synthesis |
P-489117555 | 97 | As is | in stock |
P-872697068 | 95 | As is | in stock |
P-590961932 | 95 | As is | by synthesis |
P-901515689 | 95 | As is | by synthesis |
P-4255882 | 90 | As is | 21 mg |
P-584608321 | 95 | As is | in stock |
P-868563473 | 95 | As is | in stock |
P-34557195 | 90 | As is | in stock |
P-502510013 | 95 | As is | by synthesis |
P-502535643 | 95 | As is | by synthesis |
P-502674691 | 90 | As is | in stock |
P-502695874 | 90 | As is | in stock |
P-900954779 | 90 | As is | in stock |
P-492215268 | 95 | As is | in stock |
P-900957125 | 95 | As is | in stock |
P-13000987 | 95 | As is | 300 mg |
P-855973393 | 95 | As is | 5 g |
P-852431004 | N/A | As is | in stock |
P-895628743 | 95 | As is | by synthesis |
P-13415961 | 92 | As is | 300 mg |
P-18974234 | 90 | As is | in stock |
P-502326569 | 90 | As is | in stock |
P-907234688 | 94 | As is | by resynthesis (? - ? days) |
P-907226186 | 94 | As is | by resynthesis (? - ? days) |
P-907285874 | 94 | As is | by resynthesis (? - ? days) |
P-611588198 | 90 | As is | in stock |
P-3243396 | 90 | As is | 230 mg |
P-622999 | 90 | As is | 230 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 191.255 |
logP | 2.0688 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 80.37 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 54.0367 |
Atoms | 22 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 9 |
Heteroatoms | 4 |
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 |