Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-7113176378
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 | 13 USD | 98 | 20 working days | Get Quote |
| 5 mg | 13 USD | 98 | 20 working days | Get Quote |
| 10 mg | 13 USD | 98 | 20 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-7113176378.sdf |
| SMILES | MCULE-7113176378.smiles |
| Standard InChI | MCULE-7113176378.inchi |
| InChIKey | MCULE-7113176378.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867634340 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875798777 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-597027951 | AEchem | Building blocks | 98 | As is | in stock |
| P-590391973 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610900883 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
| P-580240591 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
| P-606929727 | AmBeed | In stock | N/A | As is | in stock |
| P-596967161 | Angene | Building Blocks in stock | 98 | As is | 25 g |
| P-866727239 | Apollo Scientific | In Stock | 95 | As is | in stock |
| P-864091954 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580717085 | BLD pharm | In-stock building blocks | 98 | As is | 21.5 g |
| P-851248494 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868651869 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580417151 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889113719 | FluoroChem | In Stock BB | N/A | As is | 8.5 g |
| P-18813204 | Key Organics | Screening Compounds and Fragments | 90 | As is | 111 mg |
| P-579627980 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
| P-615200113 | Life Chemicals | Screening Compounds | 90 | As is | 249 mg |
| P-580508987 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852440423 | Matrix Scientific | All | N/A | As is | in stock |
| P-428013021 | Maybridge | Screening Collection | 95 | As is | 1.821 kg |
| P-854764570 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-596788286 | Synthonix | In-stock Building Blocks | 98 | As is | 124.75 g |
| P-502360866 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-855346974 | Toronto Research | In stock | 90 | As is | in stock |
| P-886947769 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 199.205 |
| logP | 2.4468 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 50.19 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 56.6323 |
| Atoms | 24 |
| Rings | 2 |
| Heavy atoms | 15 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
