MCULE-9741085871
- 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-9741085871.sdf |
SMILES | MCULE-9741085871.smiles |
Standard InChI | MCULE-9741085871.inchi |
InChIKey | MCULE-9741085871.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892975359 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-874643327 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-504702597 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As is | 5 mg |
P-454681406 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-584579509 | ChemDiv | Discovery Chemistry Library | 90 | As is | 10 mg |
P-436441909 | Chemical Block | Building Blocks | 90 | As is | 19.1 g |
P-285802 | Chemical Block | Screening Library | 90 | As is | 857 mg |
P-34713755 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-580787016 | Crea-Chim | Building Blocks | 95 | As is | by resynthesis (? - ? days) |
P-862117776 | FluoroChem | General BB | N/A | As is | in stock |
P-854901757 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-24056512 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22612594 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502336597 | TimTec | Building Block Collection | 90 | As is | in stock |
P-596710729 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 5 mg |
P-2515046 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 115 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 232.239 |
logP | 1.5257 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 83.03 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 62.0089 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 12 |
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 |