MCULE-9900373382
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 64 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-9900373382.sdf |
SMILES | MCULE-9900373382.smiles |
Standard InChI | MCULE-9900373382.inchi |
InChIKey | MCULE-9900373382.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-436442240 | Chemical Block | Building Blocks | 90 | As is | 8.877 g |
P-298631 | Chemical Block | Screening Library | 90 | As is | 1.049 g |
P-892972860 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
P-504704770 | ChemBridge | RUSH - EXPRESS PICK LIBRARY | 85 | As an isomer | 5 mg |
P-454682241 | ChemDiv | Building Blocks in stock | 90 | As an isomer | in stock |
P-15143200 | ChemDiv | Discovery Chemistry Library | 90 | As an isomer | 19 mg |
P-34717175 | Crea-Chim | HTS compounds | 90 | As an isomer | unavailable |
P-580787270 | Crea-Chim | Building Blocks | 90 | As an isomer | by resynthesis (? - ? days) |
P-24058970 | Princeton Biomolecular Research | Screening Compounds | 90 | As an isomer | in stock |
P-491225445 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
P-22615330 | TimTec | ActiMol 3 Week | 90 | As an isomer | in stock |
P-502336844 | TimTec | Building Block Collection | 90 | As an isomer | in stock |
P-2139343 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As an isomer | 113 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 179.601 |
logP | 2.76248 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 44.02 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 47.6708 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 6 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |