MCULE-6849315485
- 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.
-
MCULE-1798661139
- Component type: Main
Name | File |
---|---|
SDF | MCULE-6849315485.sdf |
SMILES | MCULE-6849315485.smiles |
Standard InChI | MCULE-6849315485.inchi |
InChIKey | MCULE-6849315485.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-852180071 | N/A | As is | by synthesis |
P-901199824 | N/A | As a main component | by synthesis |
P-613856270 | 95 | As a main component | in stock |
P-867720684 | N/A | As a main component | by synthesis |
P-901351929 | 95 | As a main component | by synthesis |
P-862392873 | 95 | As a main component | by synthesis |
P-590788641 | 95 | As a main component | by synthesis |
P-5026276 | 90 | As a main component | 5 mg |
P-893361870 | 90 | As a main component | 1000 mg |
P-674290539 | 90 | As a main component | in stock |
P-619305179 | 90 | As a main component | 11 mg |
P-584597757 | 95 | As a main component | 110 g |
P-617323826 | 90 | As a main component | in stock |
P-861535372 | 95 | As a main component | by synthesis |
P-34739121 | 90 | As a main component | in stock |
P-580787396 | 90 | As a main component | by resynthesis (? - ? days) |
P-852428248 | N/A | As a main component | in stock |
P-854926699 | 95 | As a main component | by synthesis |
P-675097838 | 90 | As a main component | in stock |
P-502440793 | 90 | As a main component | in stock |
P-873213148 | 90 | As a main component | in stock |
P-899594624 | 90 | As a main component | 78 mg |
P-875267307 | 90 | As a main component | 3 mg |
P-855227304 | 90 | As a main component | in stock |
P-617713054 | 90 | As a main component | 2.08 g |
P-617769434 | 90 | As a main component | 2.08 g |
Property | Value |
---|---|
Components | 1 |
Mass | 227.301 |
logP | 3.3152 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 35.25 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 69.9014 |
Atoms | 34 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 17 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |