MCULE-1525948958
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 63 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-1525948958.sdf |
SMILES | MCULE-1525948958.smiles |
Standard InChI | MCULE-1525948958.inchi |
InChIKey | MCULE-1525948958.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867407828 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-851853709 | AmBeed | On request | N/A | As is | by synthesis |
P-504733808 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-454755497 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-607763128 | ChemDiv | Discovery Chemistry Library | 90 | As is | 6 mg |
P-34525194 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-580764981 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580775510 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-861949906 | FluoroChem | General BB | N/A | As is | in stock |
P-488548071 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-13597500 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-596587617 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
P-895431500 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-454367210 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-445281128 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-23858681 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491128251 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33465193 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502341890 | TimTec | Building Block Collection | 90 | As is | in stock |
P-25020750 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.063 g |
P-3227005 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.063 g |
Property | Value |
---|---|
Components | 1 |
Mass | 221.684 |
logP | 3.0566 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 43.84 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 62.3564 |
Atoms | 27 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |