MCULE-2778317647
- 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 | 6 USD | 97 | 22 working days | Get Quote |
5 mg | 6 USD | 97 | 22 working days | Get Quote |
10 mg | 6 USD | 97 | 22 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.
-
MCULE-4631330176
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2778317647.sdf |
SMILES | MCULE-2778317647.smiles |
Standard InChI | MCULE-2778317647.inchi |
InChIKey | MCULE-2778317647.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-579656917 | 95 | As is | by resynthesis (? - ? days) |
P-885518128 | 95 | As is | by synthesis |
P-867599207 | 97 | As a main component | in stock |
P-875757020 | N/A | As a main component | in stock |
P-874635290 | 97 | As a main component | in stock |
P-903092320 | 98 | As a main component | 700 g |
P-851934497 | N/A | As a main component | in stock |
P-865912370 | 97 | As a main component | 600 g |
P-895944392 | 95 | As a main component | by resynthesis (? - ? days) |
P-864189951 | 95 | As a main component | in stock |
P-608390502 | 97 | As a main component | 1.25 g |
P-901418819 | 95 | As a main component | by synthesis |
P-889029921 | 97 | As a main component | in stock |
P-889428001 | 98 | As a main component | 803.706 g |
P-608220200 | 98 | As a main component | in stock |
P-524163615 | 98 | As a main component | 1000 g |
P-31258294 | 90 | As a main component | unavailable |
P-31249599 | 90 | As a main component | unavailable |
P-863717124 | 95 | As a main component | in stock |
P-885535882 | 95 | As a main component | by synthesis |
P-906779872 | 98 | As a main component | by synthesis |
P-617784644 | 90 | As a main component | 1.008 g |
P-617725670 | 90 | As a main component | 1.008 g |
P-893993899 | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 149.214 |
logP | 0.5069 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 91.12 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 38.0704 |
Atoms | 20 |
Rings | 0 |
Heavy atoms | 9 |
Hydrogen atoms | 11 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |