Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9680609713
Compound
Show structures
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 | 20 USD | 95 | 34 working days | Get Quote |
| 5 mg | 20 USD | 95 | 34 working days | Get Quote |
| 10 mg | 20 USD | 95 | 34 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.
-
MCULE-1173000596
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9680609713.sdf |
| SMILES | MCULE-9680609713.smiles |
| Standard InChI | MCULE-9680609713.inchi |
| InChIKey | MCULE-9680609713.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867563170 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875722342 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-590418610 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-865907358 | Angene | Building Blocks in stock | 95 | As is | 175 g |
| P-873287181 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-893228760 | Biosynth | In Stock | 95 | As is | in stock |
| P-861413166 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-580300518 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-494300695 | Frinton Laboratories | Frinton Building Blocks | 98 | As is | in stock |
| P-454379248 | Key Organics | Building Blocks | 95 | As is | 22.688 g |
| P-18797406 | Key Organics | Screening Compounds and Fragments | 95 | As is | 22.688 g |
| P-889737503 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
| P-852413334 | Matrix Scientific | All | N/A | As is | in stock |
| P-854921471 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-500389010 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-896081878 | Specs | Repurposed Compounds | N/A | As is | 25 mg |
| P-502332795 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888227273 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 7 mg |
| P-611430914 | Toronto Research | In stock | 90 | As is | in stock |
| P-855355340 | Toronto Research | In stock | 90 | As is | in stock |
| P-886902730 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| P-899953093 | AmBeed | On request | N/A | As a main component | by synthesis |
| P-893228773 | Biosynth | In Stock | 95 | As a main component | in stock |
| P-861341656 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
| P-855355342 | Toronto Research | In stock | 90 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 168.146 |
| logP | 1.1044 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 1 |
| PSA | 77.76 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 42.4133 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 8 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
