MCULE-2710457929
- 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 | 128 USD | 95 | 11 working days | Get Quote |
5 mg | 268 USD | 95 | 11 working days | Get Quote |
10 mg | 444 USD | 95 | 11 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-8459532644
- Component type: Main
-
MCULE-9625853053
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2710457929.sdf |
SMILES | MCULE-2710457929.smiles |
Standard InChI | MCULE-2710457929.inchi |
InChIKey | MCULE-2710457929.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867623684 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875786241 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-500397425 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
P-868533832 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
P-874635370 | AK Scientific | Building Blocks | 99 | As a main component | in stock |
P-889796770 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-888664502 | TargetMol | Screening Compounds | 95 | As a main component | by synthesis |
P-869174196 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 1063.210 |
logP | 3.3315 |
H-bond acceptors | 23 |
H-bond donors | 13 |
Rotatable bonds | 38 |
PSA | 434.03 |
RO5 violations | 3 |
RO3 violations | 6 |
Refractivity | 274.21 |
Atoms | 136 |
Rings | 4 |
Heavy atoms | 74 |
Hydrogen atoms | 62 |
Heteroatoms | 25 |
N/O atoms | 23 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 7 |
R/S chiral centers | 7 |
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 |