MCULE-7102050358
- 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 | 8 USD | 98 | 20 working days | Get Quote |
5 mg | 8 USD | 98 | 20 working days | Get Quote |
10 mg | 8 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.
Name | File |
---|---|
SDF | MCULE-7102050358.sdf |
SMILES | MCULE-7102050358.smiles |
Standard InChI | MCULE-7102050358.inchi |
InChIKey | MCULE-7102050358.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867642391 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875809086 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869351061 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-425204603 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-606885432 | AmBeed | In stock | N/A | As is | in stock |
P-619161703 | Angene | Building Blocks in stock | 98 | As is | 474 g |
P-895933416 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864184204 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-584629296 | BLD pharm | In-stock building blocks | 98 | As is | 692 g |
P-3289338 | ChemDiv | Discovery Chemistry Library | 90 | As is | 421 mg |
P-868619499 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-896534786 | FluoroChem | In Stock BB | N/A | As is | 225 g |
P-855926889 | Key Organics | Building Blocks | 97 | As is | 5 g |
P-854741165 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-889876315 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-896077511 | Specs | Repurposed Compounds | N/A | As is | 333 mg |
P-596765127 | Synthonix | In-stock Building Blocks | 98 | As is | 2.879 kg |
P-893987007 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 254.235 |
logP | 1.4512 |
H-bond acceptors | 6 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 93.06 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 62.661 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 18 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |