Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2576648405
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 64 USD | 90 | 17 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-2576648405.sdf |
| SMILES | MCULE-2576648405.smiles |
| Standard InChI | MCULE-2576648405.inchi |
| InChIKey | MCULE-2576648405.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-425249007 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-596515653 | Asinex | General bb catalog | 90 | As is | 1000 mg |
| P-596430313 | Asinex | General screening catalog | 90 | As is | 1000 mg |
| P-3661322 | ChemDiv | Discovery Chemistry Library | 90 | As is | 421 mg |
| P-488551725 | InterBioScreen | Building Blocks | 90 | As is | in stock |
| P-12693619 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-18819766 | Key Organics | Screening Compounds and Fragments | 90 | As is | 12 mg |
| P-852386389 | Matrix Scientific | All | N/A | As is | in stock |
| P-854791870 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-454369599 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
| P-13986254 | Pharmeks LLC | Synthetic compounds | 92 | As is | in stock |
| P-23847899 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885518032 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502335051 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611611048 | Toronto Research | In stock | 90 | As is | in stock |
| P-3241617 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 1.838 g |
| P-879132 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.838 g |
| P-3235297 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.838 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 229.274 |
| logP | 2.8514 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 42.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 67.0723 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 15 |
| 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 |
