Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3495737054
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 | 12 USD | 98 | 20 working days | Get Quote |
| 5 mg | 12 USD | 98 | 20 working days | Get Quote |
| 10 mg | 12 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-3495737054.sdf |
| SMILES | MCULE-3495737054.smiles |
| Standard InChI | MCULE-3495737054.inchi |
| InChIKey | MCULE-3495737054.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-872827263 | 95 | As is | in stock |
| P-890145964 | N/A | As is | in stock |
| P-590414582 | 98 | As is | in stock |
| P-903075211 | 98 | As is | 125 g |
| P-905490454 | 97 | As is | 10 g |
| P-893545318 | 90 | As is | 423.67 g |
| P-606946396 | N/A | As is | in stock |
| P-888815159 | 98 | As is | 50 g |
| P-889570620 | 95 | As is | in stock |
| P-869376436 | 98 | As is | 1000 mg |
| P-868612188 | 96 | As is | in stock |
| P-580303819 | 95 | As is | by resynthesis (? - ? days) |
| P-889300295 | 98 | As is | 92 g |
| P-615655996 | 95 | As is | in stock |
| P-580476399 | N/A | As is | by synthesis |
| P-852601585 | N/A | As is | in stock |
| P-895223510 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 114.185 |
| logP | 1.5574 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 0 |
| PSA | 20.23 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 34.8108 |
| Atoms | 22 |
| Rings | 1 |
| Heavy atoms | 8 |
| Hydrogen atoms | 14 |
| Heteroatoms | 1 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
