Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7940564181-0
Structure
Show compound
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 | 33 USD | 98 | 16 working days | Get Quote |
| 5 mg | 33 USD | 98 | 16 working days | Get Quote |
| 10 mg | 44 USD | 98 | 16 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-7940564181-0.sdf |
| SMILES | MCULE-7940564181-0.smiles |
| Standard InChI | MCULE-7940564181-0.inchi |
| InChIKey | MCULE-7940564181-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-875690938 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-903012797 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 500 mg |
| P-860055812 | AvaChem Scientific | On demand | 95 | As is | by synthesis |
| P-871219107 | BOC Sciences | All products | N/A | As is | by resynthesis (? - ? days) |
| P-861497225 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-852537551 | Matrix Scientific | All | N/A | As is | in stock |
| P-895185316 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-895242153 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-871064970 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608270206 | Molnova | Stock | 98 | As is | in stock |
| P-867535668 | A2B Chem | Predominantly Building Block in stock | 98 | As an isomer | in stock |
| P-852088272 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
| P-874610205 | AK Scientific | Building Blocks | 95 | As an isomer | in stock |
| P-893502474 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 10.7 g |
| P-606880676 | AmBeed | In stock | N/A | As an isomer | in stock |
| P-596925896 | Angene | Building Blocks in stock | 95 | As an isomer | 500 mg |
| P-872726530 | Apexbio Technology | Bioactive Compound Library | 98 | As an isomer | in stock |
| P-896023045 | AstaTech | In Stock BBs | 95 | As an isomer | in stock |
| P-563505562 | Key Organics | Building Blocks | 95 | As an isomer | 500 mg |
| P-860787678 | Manchester Organics | Compounds on demand | 95 | As an isomer | by synthesis |
| P-888843191 | PharmaBlock | On demand | N/A | As an isomer | by synthesis |
| P-596773327 | Synthonix | In-stock Building Blocks | 95 | As an isomer | 60 mg |
| P-594275543 | TargetMol | Screening Compounds - synthesis | 95 | As an isomer | by synthesis |
| P-892298433 | TargetMol | In Stock BB | 95 | As an isomer | unavailable |
| P-888658143 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | 238 mg |
| P-611422939 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-611422940 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-855245882 | Toronto Research | In stock | 90 | As an isomer | in stock |
| P-480994554 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As an isomer | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 207.244 |
| logP | 3.4692 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 32.59 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 60.1335 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 15 |
| Hydrogen atoms | 14 |
| 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 | 2 |
| Cis/trans stereo double bonds | 2 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
