MCULE-4193802883
- 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 | 99 | 14 working days | Get Quote |
5 mg | 7 USD | 99 | 14 working days | Get Quote |
10 mg | 7 USD | 99 | 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-4193802883.sdf |
SMILES | MCULE-4193802883.smiles |
Standard InChI | MCULE-4193802883.inchi |
InChIKey | MCULE-4193802883.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867662343 | 98 | As is | in stock |
P-875831361 | N/A | As is | in stock |
P-590379785 | 98 | As is | in stock |
P-903206941 | 99 | As is | 100 g |
P-489163306 | 97 | As is | in stock |
P-596973086 | 99 | As is | 500 g |
P-580194606 | 98 | As is | in stock |
P-864197228 | 95 | As is | in stock |
P-900154557 | 95 | As is | in stock |
P-896540435 | 99 | As is | in stock |
P-901413239 | 95 | As is | in stock |
P-893228249 | 95 | As is | in stock |
P-505576121 | 98 | As is | in stock |
P-34882607 | 90 | As is | in stock |
P-851278603 | 95 | As is | by synthesis |
P-608496223 | 95 | As is | in stock |
P-870652412 | N/A | As is | in stock |
P-505511607 | 95 | As is | in stock |
P-890852678 | 90 | As is | in stock |
P-488555830 | 92 | As is | in stock |
P-488546850 | 90 | As is | in stock |
P-524198321 | 95 | As is | 500 g |
P-896627783 | 95 | As is | by synthesis |
P-863732883 | 95 | As is | in stock |
P-584618214 | 95 | As is | in stock |
P-608276686 | 98 | As is | in stock |
P-638222570 | 90 | As is | by synthesis |
P-454366632 | 92 | As is | in stock |
P-500392385 | 98 | As is | by synthesis |
P-885524255 | 95 | As is | by synthesis |
P-19622925 | 90 | As is | in stock |
P-579711704 | N/A | As is | in stock |
P-892213646 | 95 | As is | by synthesis |
P-869175375 | 95 | As is | in stock |
P-892286496 | 95 | As is | 3.092 g |
P-892310027 | 95 | As is | 3.092 g |
P-888496919 | 94 | As is | by resynthesis (? - ? days) |
P-906777340 | 98 | As is | by synthesis |
P-1911205 | 90 | As is | 1.038 g |
P-3229173 | 90 | As is | 1.038 g |
P-666966073 | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 266.253 |
logP | -1.1934 |
H-bond acceptors | 8 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 80.28 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 66.516 |
Atoms | 33 |
Rings | 3 |
Heavy atoms | 19 |
Hydrogen atoms | 14 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |