Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2701695748
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 | 48 USD | 90 | 21 working days | Get Quote |
| 5 mg | 77 USD | 90 | 21 working days | Get Quote |
| 10 mg | 92 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-2701695748.sdf |
| SMILES | MCULE-2701695748.smiles |
| Standard InChI | MCULE-2701695748.inchi |
| InChIKey | MCULE-2701695748.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867600529 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875757555 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-615722210 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-903093107 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 100 mg |
| P-851696150 | AmBeed | On request | N/A | As is | by synthesis |
| P-675656273 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-563668263 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-852455571 | Matrix Scientific | All | N/A | As is | in stock |
| P-864023144 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-12472071 | Otava | In-House Stock Library | 90 | As is | 2.65 g |
| P-492277999 | Otava | Chemical Building Blocks for Prompt Delivery | 99 | As is | 2.65 g |
| P-500396207 | Pi Chemicals | Virtual Compounds | 95 | As is | by synthesis |
| P-474051929 | Rieke Metals | Building Blocks | 97 | As is | in stock |
| P-535714568 | Rieke Metals | Natural Compounds | N/A | As is | in stock |
| P-611588656 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 192.210 |
| logP | 2.0425 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 54.37 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 52.9883 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 12 |
| 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 |
