MCULE-1993770376
- 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-3347273452
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1993770376.sdf |
SMILES | MCULE-1993770376.smiles |
Standard InChI | MCULE-1993770376.inchi |
InChIKey | MCULE-1993770376.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-886581348 | 95 | As is | in stock |
P-901262172 | N/A | As is | in stock |
P-595217576 | 95 | As is | in stock |
P-903104514 | 97 | As is | 1000 mg |
P-610976405 | 90 | As is | 3.9 g |
P-851624353 | N/A | As is | by synthesis |
P-489192563 | 97 | As is | in stock |
P-873292345 | 97 | As is | 1000 mg |
P-889773377 | 95 | As is | in stock |
P-454634034 | 90 | As is | in stock |
P-454756595 | 90 | As is | in stock |
P-436447349 | 95 | As is | 20 g |
P-861530357 | 95 | As is | by synthesis |
P-34526059 | 90 | As is | in stock |
P-580776256 | 90 | As is | by resynthesis (? - ? days) |
P-580765652 | 90 | As is | in stock |
P-580288420 | N/A | As is | by resynthesis (? - ? days) |
P-855970560 | 95 | As is | 10 g |
P-580472512 | N/A | As is | by synthesis |
P-852397648 | N/A | As is | in stock |
P-854840447 | 95 | As is | by synthesis |
P-856063772 | 95 | As is | in stock |
P-19449177 | 90 | As is | in stock |
P-33465694 | 90 | As is | in stock |
P-502342430 | 90 | As is | in stock |
P-611431141 | 90 | As is | in stock |
P-886928465 | 95 | As is | by synthesis |
P-903000156 | 95 | As a main component | in stock |
P-888620889 | 95 | As a main component | 250 mg |
P-893944336 | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 149.232 |
logP | 3.0234 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 26.02 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 48.8544 |
Atoms | 26 |
Rings | 1 |
Heavy atoms | 11 |
Hydrogen atoms | 15 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |