Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1345261046
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 | 11 USD | 95 | 15 working days | Get Quote |
| 5 mg | 11 USD | 95 | 15 working days | Get Quote |
| 10 mg | 11 USD | 95 | 15 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-1345261046.sdf |
| SMILES | MCULE-1345261046.smiles |
| Standard InChI | MCULE-1345261046.inchi |
| InChIKey | MCULE-1345261046.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867678699 | 95 | As is | in stock |
| P-875856281 | N/A | As is | in stock |
| P-869239269 | 95 | As is | in stock |
| P-903302744 | 98 | As is | 225 g |
| P-851939438 | N/A | As is | in stock |
| P-873299841 | 98 | As is | 215 g |
| P-895937378 | 95 | As is | by resynthesis (? - ? days) |
| P-851146123 | 95 | As is | 1.507 g |
| P-893236470 | 95 | As is | in stock |
| P-6203381 | 90 | As is | 25 mg |
| P-861341627 | 95 | As is | by synthesis |
| P-905424231 | 98 | As is | 219 g |
| P-502812058 | 90 | As is | in stock |
| P-13455210 | 95 | As is | 241 mg |
| P-854929931 | 95 | As is | by synthesis |
| P-26491054 | 90 | As is | 550 mg |
| P-445324055 | 92 | As is | 241 mg |
| P-520059856 | 90 | As is | in stock |
| P-23340608 | 90 | As is | in stock |
| P-611379021 | 90 | As is | in stock |
| P-2171886 | 90 | As is | 65 mg |
| P-893975069 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 222.238 |
| logP | 3.46 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 30.21 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 67.92 |
| Atoms | 27 |
| Rings | 3 |
| Heavy atoms | 17 |
| Hydrogen atoms | 10 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
