MCULE-1944708514-0
- 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 | 7 USD | 98 | 14 working days | Get Quote |
5 mg | 7 USD | 98 | 14 working days | Get Quote |
10 mg | 7 USD | 98 | 14 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-1944708514-0.sdf |
SMILES | MCULE-1944708514-0.smiles |
Standard InChI | MCULE-1944708514-0.inchi |
InChIKey | MCULE-1944708514-0.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867584251 | 95 | As is | in stock |
P-860632301 | N/A | As is | by synthesis |
P-875741868 | N/A | As is | in stock |
P-597025252 | 95 | As is | in stock |
P-903072310 | 98 | As is | 150 g |
P-580243062 | 95 | As is | by synthesis |
P-901662029 | N/A | As is | in stock |
P-851826429 | N/A | As is | by synthesis |
P-596983850 | 98 | As is | 500 g |
P-866720213 | 95 | As is | by resynthesis (? - ? days) |
P-905459803 | 95 | As is | in stock |
P-901920196 | 97 | As is | 177.193 g |
P-591136058 | 95 | As is | by synthesis |
P-893251305 | 95 | As is | by synthesis |
P-454677031 | 90 | As is | in stock |
P-624 | 90 | As is | 1.1697 kg |
P-580420773 | 95 | As is | by resynthesis (? - ? days) |
P-505522272 | 95 | As is | in stock |
P-488546254 | 90 | As is | in stock |
P-13752349 | 92 | As is | 300 mg |
P-563589288 | 95 | As is | 25 g |
P-613283721 | 95 | As is | by synthesis |
P-852505914 | N/A | As is | in stock |
P-895256385 | 95 | As is | by synthesis |
P-500398059 | 95 | As is | by synthesis |
P-888683858 | 90 | As is | in stock |
P-33501683 | 90 | As is | in stock |
P-502327595 | 90 | As is | in stock |
P-906904182 | 98 | As is | in stock |
P-906810553 | 98 | As is | by synthesis |
P-24822615 | 90 | As is | 110 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 136.191 |
logP | 1.7876 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 17.07 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 40.875 |
Atoms | 22 |
Rings | 2 |
Heavy atoms | 10 |
Hydrogen atoms | 12 |
Heteroatoms | 1 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 3 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 3 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |