MCULE-2256939223
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 66 USD | 90 | 19 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-5622506828
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2256939223.sdf |
SMILES | MCULE-2256939223.smiles |
Standard InChI | MCULE-2256939223.inchi |
InChIKey | MCULE-2256939223.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-34817130 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-644330340 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-18878215 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-12750198 | Specs | Screening Compounds | 90 | As is | 13 mg |
P-22802698 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-888369608 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-705385 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 170 mg |
P-892488125 | Asinex | General screening catalog | 90 | As a main component | 77 mg |
P-619324043 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 17 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 430.493 |
logP | 2.5634 |
H-bond acceptors | 8 |
H-bond donors | 0 |
Rotatable bonds | 9 |
PSA | 69.7 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 124.3195 |
Atoms | 61 |
Rings | 3 |
Heavy atoms | 31 |
Hydrogen atoms | 30 |
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 |