Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2044639492
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 | 38 USD | 98 | 15 working days | Get Quote |
| 5 mg | 38 USD | 98 | 15 working days | Get Quote |
| 10 mg | 38 USD | 98 | 15 working days | Get Quote |
- 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-2044639492.sdf |
| SMILES | MCULE-2044639492.smiles |
| Standard InChI | MCULE-2044639492.inchi |
| InChIKey | MCULE-2044639492.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867582960 | 98 | As is | in stock |
| P-875742285 | 98 | As is | in stock |
| P-615719859 | 98 | As is | by resynthesis (? - ? days) |
| P-903072530 | 98 | As is | 50 g |
| P-905484588 | 97 | As is | 100 g |
| P-893532416 | 90 | As is | 219.636 g |
| P-1270317468 | 98 | As is | in stock |
| P-901179452 | N/A | As is | in stock |
| P-489204402 | 97 | As is | in stock |
| P-596976225 | 98 | As is | 50 g |
| P-589659198 | 95 | As is | by resynthesis (? - ? days) |
| P-864113236 | 97 | As is | in stock |
| P-901918308 | 98 | As is | 4.342 g |
| P-505595287 | 97 | As is | in stock |
| P-861446689 | 95 | As is | by synthesis |
| P-580384803 | N/A | As is | by resynthesis (? - ? days) |
| P-862072214 | 98 | As is | 25.386 g |
| P-675514044 | 95 | As is | in stock |
| P-675477787 | 90 | As is | in stock |
| P-563666549 | 95 | As is | 50 mg |
| P-855401541 | 95 | As is | in stock |
| P-492286601 | 95 | As is | 1000 mg |
| P-424389969 | 90 | As is | 1000 mg |
| P-888894917 | N/A | As is | in stock |
| P-856067006 | 95 | As is | in stock |
| P-870515487 | 97 | As is | 21.2 g |
| P-1273031986 | 94 | As is | by resynthesis (? - ? days) |
| P-611583240 | 90 | As is | in stock |
| P-575294927 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 186.590 |
| logP | 1.8667 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 45.3545 |
| Atoms | 19 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 7 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
