Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7572355136
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 38 USD | 90 | 19 working days | Get Quote |
| 5 mg | 55 USD | 90 | 19 working days | Get Quote |
| 10 mg | 69 USD | 90 | 19 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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.
-
1
MCULE-7046941466
- Component type: Main
-
1
MCULE-7907563410
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7572355136.sdf |
| SMILES | MCULE-7572355136.smiles |
| Standard InChI | MCULE-7572355136.inchi |
| InChIKey | MCULE-7572355136.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-885549724 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-425203456 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
| P-448676608 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 405 mg |
| P-580304123 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-31129468 | LaboTest | Screening Collection | 90 | Main component | 10 g |
| P-424904429 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-25519548 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 993 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 380.414 |
| logP | 3.2684 |
| H-bond acceptors | 8 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 183.58 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 53.173 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 1 |
| Heteroatoms | 12 |
| N/O atoms | 11 |
| Inorganic atoms | 1 |
| 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 |
