MCULE-8993302891
- 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 | 40 USD | 90 | 22 working days | Get Quote |
5 mg | 41 USD | N/A | 22 working days | Get Quote |
10 mg | 41 USD | N/A | 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.
Name | File |
---|---|
SDF | MCULE-8993302891.sdf |
SMILES | MCULE-8993302891.smiles |
Standard InChI | MCULE-8993302891.inchi |
InChIKey | MCULE-8993302891.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867648409 | 98 | As is | in stock |
P-875816044 | N/A | As is | in stock |
P-590357388 | 98 | As is | in stock |
P-903179673 | 95 | As is | 5 g |
P-596473120 | 90 | As is | 1000 mg |
P-596499254 | 90 | As is | 1000 mg |
P-896048691 | 95 | As is | by synthesis |
P-901543072 | 95 | As is | by synthesis |
P-454759259 | 90 | As is | in stock |
P-619826385 | 90 | As is | 62 mg |
P-861389315 | 95 | As is | by synthesis |
P-278316743 | 90 | As is | in stock |
P-580778870 | 90 | As is | by resynthesis (? - ? days) |
P-580768077 | 90 | As is | in stock |
P-862258895 | 95 | As is | 6 g |
P-855999737 | 95 | As is | 250 mg |
P-579460951 | 95 | As is | 1000 mg |
P-580470299 | N/A | As is | by synthesis |
P-852402909 | N/A | As is | in stock |
P-854874866 | 95 | As is | by synthesis |
P-491131398 | 95 | As is | by synthesis |
P-424836312 | 90 | As is | in stock |
P-502333527 | 90 | As is | in stock |
P-22501020 | 90 | As is | 38 mg |
P-611474766 | 90 | As is | in stock |
P-35121369 | 90 | As is | 1.049 g |
P-596527728 | 90 | As is | 1.049 g |
P-893673405 | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 209.263 |
logP | 1.7438 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 32.5 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 67.0644 |
Atoms | 31 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 16 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |