Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2728410500
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 | 33 USD | 95 | 7 working days | Get Quote |
| 5 mg | 50 USD | 98 | 16 working days | Get Quote |
| 10 mg | 76 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-2728410500.sdf |
| SMILES | MCULE-2728410500.smiles |
| Standard InChI | MCULE-2728410500.inchi |
| InChIKey | MCULE-2728410500.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867602735 | 99 | As is | in stock |
| P-875760423 | N/A | As is | in stock |
| P-505394077 | 95 | As is | in stock |
| P-853438507 | 98 | As is | in stock |
| P-903096000 | 98 | As is | 5 g |
| P-1264046928 | 95 | As is | in stock |
| P-610989859 | 90 | As is | 21.053 g |
| P-875893838 | N/A | As is | in stock |
| P-606907708 | N/A | As is | in stock |
| P-489130645 | 97 | As is | in stock |
| P-596959702 | 98 | As is | 3 g |
| P-580192662 | 98 | As is | in stock |
| P-889534577 | 98 | As is | in stock |
| P-896540238 | 99 | As is | in stock |
| P-590624162 | 98 | As is | 2.2 g |
| P-851251945 | 95 | As is | by synthesis |
| P-860798001 | 98 | As is | in stock |
| P-868623032 | 96 | As is | in stock |
| P-579479423 | 95 | As is | in stock |
| P-580442079 | 95 | As is | by resynthesis (? - ? days) |
| P-675215689 | 95 | As is | in stock |
| P-524166350 | 95 | As is | 50 mg |
| P-579629157 | 98 | As is | 5 g |
| P-872930491 | N/A | As is | by synthesis |
| P-852524221 | N/A | As is | in stock |
| P-854720248 | 95 | As is | in stock |
| P-474027299 | 95 | As is | in stock |
| P-608276578 | 98 | As is | in stock |
| P-579710090 | N/A | As is | in stock |
| P-873285441 | N/A | As is | in stock |
| P-869136582 | 95 | As is | by synthesis |
| P-892292317 | 95 | As is | unavailable |
| P-888644839 | 95 | As is | 51 mg |
| P-855006288 | 90 | As is | in stock |
| P-480967684 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 346.342 |
| logP | 3.4918 |
| H-bond acceptors | 8 |
| H-bond donors | 4 |
| Rotatable bonds | 2 |
| PSA | 144.06 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 98.8548 |
| Atoms | 40 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 14 |
| Heteroatoms | 8 |
| N/O atoms | 8 |
| 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 |
