MCULE-2102522582
- 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 | 34 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.
Name | File |
---|---|
SDF | MCULE-2102522582.sdf |
SMILES | MCULE-2102522582.smiles |
Standard InChI | MCULE-2102522582.inchi |
InChIKey | MCULE-2102522582.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-674979503 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-612942995 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893386142 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-851484901 | AmBeed | On request | N/A | As is | by synthesis |
P-489238982 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-494347695 | Apollo Scientific | In Stock | 95 | As is | 1000 mg |
P-590823869 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-577180501 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-861547533 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-580275430 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-896532081 | FluoroChem | In Stock BB | 95 | As is | 57 g |
P-454399455 | Key Organics | Building Blocks | 95 | As is | 5 g |
P-454313230 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
P-852381618 | Matrix Scientific | All | N/A | As is | in stock |
P-854922724 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500393602 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-519923162 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502398592 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611408797 | Toronto Research | In stock | 90 | As is | in stock |
P-2518536 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 22 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 201.264 |
logP | 3.2779 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 32.86 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 62.9562 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 15 |
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 |