MCULE-1591867410
- 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 | 28 USD | 92 | 18 working days | Get Quote |
5 mg | 43 USD | 92 | 18 working days | Get Quote |
10 mg | 54 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-1591867410.sdf |
SMILES | MCULE-1591867410.smiles |
Standard InChI | MCULE-1591867410.inchi |
InChIKey | MCULE-1591867410.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-612935531 | 95 | As is | in stock |
P-866719336 | 95 | As is | by resynthesis (? - ? days) |
P-864252012 | 95 | As is | by synthesis |
P-590919159 | 95 | As is | by synthesis |
P-577179226 | 90 | As is | by synthesis |
P-15153909 | 90 | As is | 3 mg |
P-436443788 | 90 | As is | 8.33 g |
P-339366 | 90 | As is | 390 mg |
P-34729170 | 90 | As is | in stock |
P-580788286 | 90 | As is | by resynthesis (? - ? days) |
P-896537558 | 95 | As is | 12.5 g |
P-502458111 | 95 | As is | by synthesis |
P-502757536 | 90 | As is | in stock |
P-492218815 | 95 | As is | in stock |
P-488546971 | 90 | As is | in stock |
P-13989370 | 95 | As is | 300 mg |
P-596588787 | 90 | As is | 10 g |
P-500223327 | 96 | As is | in stock |
P-852379416 | N/A | As is | in stock |
P-854920803 | 95 | As is | by synthesis |
P-424385424 | 90 | As is | 1000 mg |
P-454366736 | 92 | As is | in stock |
P-13654168 | 92 | As is | 300 mg |
P-500390946 | 98 | As is | by synthesis |
P-596795668 | 95 | As is | by synthesis |
P-24065307 | 90 | As is | in stock |
P-33482536 | 90 | As is | in stock |
P-502337841 | 90 | As is | in stock |
P-873037275 | 90 | As is | 5 mg |
P-907286796 | 94 | As is | by resynthesis (? - ? days) |
P-907273893 | 94 | As is | by resynthesis (? - ? days) |
P-611602621 | 90 | As is | in stock |
P-2375582 | 90 | As is | 123 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 215.247 |
logP | 1.44 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 42.23 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 63.2568 |
Atoms | 29 |
Rings | 3 |
Heavy atoms | 16 |
Hydrogen atoms | 13 |
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 |