Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1395307434
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 | 8 USD | N/A | 14 working days | Get Quote |
| 5 mg | 8 USD | N/A | 14 working days | Get Quote |
| 10 mg | 8 USD | N/A | 14 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-1395307434.sdf |
| SMILES | MCULE-1395307434.smiles |
| Standard InChI | MCULE-1395307434.inchi |
| InChIKey | MCULE-1395307434.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-868819593 | AmBeed | In stock | N/A | As is | in stock |
| P-596504066 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-595597989 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-864131804 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-619329655 | ChemDiv | Discovery Chemistry Library | 90 | As is | 112 mg |
| P-868617387 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580421163 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-889441163 | FluoroChem | General BB | N/A | As is | in stock |
| P-862113857 | FluoroChem | General BB | N/A | As is | in stock |
| P-870662271 | Glentham Life Sciences | Compounds typically in stock | 98 | As is | in stock |
| P-500418433 | Glentham Life Sciences | Compounds typically in stock | 99 | As is | in stock |
| P-500417103 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-502533066 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-492242941 | Innovapharm | Building Blocks | 95 | As is | in stock |
| P-854062911 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-596603811 | Key Organics | Building Blocks | 95 | As is | 25 g |
| P-524163111 | Key Organics | Building Blocks | 98 | As is | 100 g |
| P-855982445 | Key Organics | Building Blocks | 97 | As is | 1.169 g |
| P-873254739 | Key Organics | Screening Compounds and Fragments | 97 | As is | 1.169 g |
| P-856040222 | LaboTest | Building Blocks | 90 | As is | unavailable |
| P-31246266 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-674742136 | Maybridge | Screening Collection | 97 | As is | 1.006 kg |
| P-854690450 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
| P-608280153 | Molnova | Stock | 98 | As is | in stock |
| P-868099550 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-885517152 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-611561050 | Toronto Research | In stock | 90 | As is | in stock |
| P-611511028 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 132.118 |
| logP | -0.3257 |
| H-bond acceptors | 5 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 106.41 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 28.7286 |
| Atoms | 17 |
| Rings | 0 |
| Heavy atoms | 9 |
| Hydrogen atoms | 8 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
