Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3922064529
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 | 10 USD | 95 | 14 working days | Get Quote |
| 5 mg | 10 USD | 95 | 14 working days | Get Quote |
| 10 mg | 10 USD | 95 | 14 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-3922064529.sdf |
| SMILES | MCULE-3922064529.smiles |
| Standard InChI | MCULE-3922064529.inchi |
| InChIKey | MCULE-3922064529.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867549218 | 95 | As is | in stock |
| P-875706418 | 95 | As is | in stock |
| P-597018040 | 95 | As is | unavailable |
| P-590373409 | 95 | As is | by resynthesis (? - ? days) |
| P-903031759 | 95 | As is | 20 g |
| P-893521378 | 90 | As is | 347.44 g |
| P-1270359493 | 95 | As is | in stock |
| P-580201746 | 95 | As is | 39 g |
| P-606840682 | N/A | As is | in stock |
| P-489214650 | 97 | As is | in stock |
| P-596940812 | 98 | As is | 20 g |
| P-552048010 | 95 | As is | 2 g |
| P-864130931 | 95 | As is | in stock |
| P-590610350 | 95 | As is | 250 mg |
| P-492254891 | 95 | As is | in stock |
| P-4148544 | 90 | As is | 100 mg |
| P-851253838 | 95 | As is | by synthesis |
| P-868622423 | 98 | As is | in stock |
| P-861960168 | 98 | As is | 117.938 g |
| P-454400046 | 95 | As is | 38.251 g |
| P-18819975 | 95 | As is | 38.251 g |
| P-856078396 | 95 | As is | in stock |
| P-1272574484 | 95 | As is | 5 g |
| P-852424016 | 95 | As is | by synthesis |
| P-854723391 | 95 | As is | in stock |
| P-19719786 | 90 | As is | in stock |
| P-873281362 | N/A | As is | in stock |
| P-596770298 | 95 | As is | 22.6 g |
| P-502398283 | 90 | As is | in stock |
| P-611455657 | 90 | As is | in stock |
| P-2244767 | 90 | As is | 943 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 199.632 |
| logP | 2.6801 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 52.32 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 51.9429 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 10 |
| 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 |
