Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9969380820
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 | 19 USD | 90 | 21 working days | Get Quote |
| 5 mg | 20 USD | 90 | 21 working days | Get Quote |
| 10 mg | 20 USD | 90 | 21 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.
| Name | File |
|---|---|
| SDF | MCULE-9969380820.sdf |
| SMILES | MCULE-9969380820.smiles |
| Standard InChI | MCULE-9969380820.inchi |
| InChIKey | MCULE-9969380820.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886661927 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889965082 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-869210479 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903227864 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 1000 mg |
| P-899913305 | AmBeed | On request | N/A | As is | by synthesis |
| P-889808546 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-901861954 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-577134726 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
| P-861398582 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579483182 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 451 mg |
| P-890203709 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
| P-502841683 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-454361010 | Key Organics | Screening Compounds and Fragments | 90 | As is | 91 mg |
| P-575523102 | Life Chemicals | Screening Compounds | 90 | As is | 108 mg |
| P-854845426 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-423419258 | Otava | In-House Stock Library | 90 | As is | 110 mg |
| P-617684605 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 110 mg |
| P-859955997 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-424834948 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-33939195 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-611427100 | Toronto Research | In stock | 90 | As is | in stock |
| P-2929668 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.064 g |
| P-893731928 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 297.372 |
| logP | 2.8074 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 83.06 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 79.9718 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 19 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
