MCULE-7094058995-3
- 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 | 5 USD | 97 | 22 working days | Get Quote |
5 mg | 5 USD | 97 | 22 working days | Get Quote |
10 mg | 5 USD | 97 | 22 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-7094058995-3.sdf |
SMILES | MCULE-7094058995-3.smiles |
Standard InChI | MCULE-7094058995-3.inchi |
InChIKey | MCULE-7094058995-3.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867553578 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875712105 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-505404170 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-580238198 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606852669 | AmBeed | In stock | N/A | As is | in stock |
P-580193706 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
P-864085418 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-580733323 | BLD pharm | In-stock building blocks | 97 | As is | 1.725 kg |
P-893229663 | Biosynth | In Stock | 95 | As is | in stock |
P-868648017 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-474023472 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608273666 | Molnova | Stock | 98 | As is | in stock |
P-500370595 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885544648 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-464626814 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892286909 | TargetMol | In Stock BB | 95 | As is | 1.003 g |
P-901168354 | XtalPi Inc. | Express Building Blocks | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 129.093 |
logP | 0.0724 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 0 |
PSA | 71.77 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 29.2201 |
Atoms | 13 |
Rings | 1 |
Heavy atoms | 9 |
Hydrogen atoms | 4 |
Heteroatoms | 5 |
N/O atoms | 4 |
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 |