MCULE-2982748624
- 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 | 11 USD | 98 | 20 working days | Get Quote |
5 mg | 11 USD | 98 | 20 working days | Get Quote |
10 mg | 11 USD | 98 | 20 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-1040897081
- Component type: Main
Name | File |
---|---|
SDF | MCULE-2982748624.sdf |
SMILES | MCULE-2982748624.smiles |
Standard InChI | MCULE-2982748624.inchi |
InChIKey | MCULE-2982748624.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867604106 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875761857 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-864147377 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-505517500 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-500376130 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-869107679 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-888626715 | TargetMol | Screening Compounds - stock amount | 95 | As is | unavailable |
P-867552909 | A2B Chem | Predominantly Building Block in stock | 98 | As a main component | in stock |
P-875711092 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-869195022 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-505352299 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-596942236 | Angene | Building Blocks in stock | 98 | As a main component | 2 g |
P-864126044 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-868544530 | Axon Medchem | Axon predominantly SC catalog | 99 | As a main component | in stock |
P-893229102 | Biosynth | In Stock | 95 | As a main component | in stock |
P-893255212 | Biosynth | Synthesis | 95 | As a main component | by synthesis |
P-505517499 | Hangzhou Apichem | Building Blocks in stock | 95 | As a main component | in stock |
P-869107678 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
P-892286283 | TargetMol | In Stock BB | 95 | As a main component | unavailable |
P-888626714 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 201 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 382.521 |
logP | 4.8397 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 61.55 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 114.3847 |
Atoms | 53 |
Rings | 4 |
Heavy atoms | 27 |
Hydrogen atoms | 26 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |