MCULE-9814060794
- 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 | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 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-2688328304
- Component type: Main
-
MCULE-6056948133
- Component type: Main
Name | File |
---|---|
SDF | MCULE-9814060794.sdf |
SMILES | MCULE-9814060794.smiles |
Standard InChI | MCULE-9814060794.inchi |
InChIKey | MCULE-9814060794.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867494007 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596514062 | Asinex | General bb catalog | 90 | As is | unavailable |
P-895695600 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-454227853 | Specs | Screening Compounds | 90 | As is | 64 mg |
P-867670927 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-875844618 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-851508669 | AmBeed | On request | N/A | As a main component | by synthesis |
P-892448894 | Asinex | General screening catalog | 90 | As a main component | 92 mg |
P-611182442 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
P-674220015 | ChemDiv | Discovery Chemistry Library | 90 | As a main component | 3 mg |
P-861376319 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-34560239 | Crea-Chim | HTS compounds | 90 | As a main component | unavailable |
P-617743150 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 155 mg |
P-893682138 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 260.417 |
logP | 3.758 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 15.27 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 86.9767 |
Atoms | 47 |
Rings | 2 |
Heavy atoms | 19 |
Hydrogen atoms | 28 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |