MCULE-6969103778
- 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.
Name | File |
---|---|
SDF | MCULE-6969103778.sdf |
SMILES | MCULE-6969103778.smiles |
Standard InChI | MCULE-6969103778.inchi |
InChIKey | MCULE-6969103778.txt |
mcule product ID | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|
P-867671423 | N/A | As is | in stock |
P-875845516 | N/A | As is | in stock |
P-869255951 | 95 | As is | in stock |
P-851579220 | N/A | As is | by synthesis |
P-901347617 | 95 | As is | by synthesis |
P-590903208 | 95 | As is | by synthesis |
P-454693134 | 90 | As is | in stock |
P-619847964 | 90 | As is | 83 mg |
P-436446940 | 95 | As is | 10 g |
P-675050533 | 90 | As is | in stock |
P-19918152 | 90 | As is | in stock |
P-861539093 | 95 | As is | by synthesis |
P-34802339 | 90 | As is | in stock |
P-596590581 | 90 | As is | 1000 mg |
P-852397295 | N/A | As is | in stock |
P-895518717 | 95 | As is | by synthesis |
P-885525621 | 95 | As is | by synthesis |
P-23900458 | 90 | As is | in stock |
P-896084387 | N/A | As is | 448 mg |
P-33492474 | 90 | As is | in stock |
P-502409778 | 90 | As is | in stock |
P-903629001 | 94 | As is | by resynthesis (? - ? days) |
P-855352691 | 90 | As is | in stock |
P-1304624 | 90 | As is | 764 mg |
P-3235192 | 90 | As is | 764 mg |
P-893740137 | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 262.326 |
logP | 3.5341 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 6 |
PSA | 64.74 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 72.4385 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 14 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |