Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4379199553
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-4379199553.sdf |
| SMILES | MCULE-4379199553.smiles |
| Standard InChI | MCULE-4379199553.inchi |
| InChIKey | MCULE-4379199553.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886655231 | 95 | As is | in stock |
| P-890177080 | N/A | As is | in stock |
| P-869256493 | 95 | As is | in stock |
| P-903216015 | 98 | As is | 25 g |
| P-904314864 | 90 | As is | 25 g |
| P-872941981 | N/A | As is | in stock |
| P-875891384 | 98 | As is | 25 g |
| P-889780697 | 95 | As is | in stock |
| P-872930884 | 98 | As is | 12.625 g |
| P-3789226 | 90 | As is | 50 mg |
| P-619933364 | 90 | As is | by synthesis |
| P-607699109 | 90 | As is | 8 mg |
| P-436451152 | 95 | As is | 3 g |
| P-19913952 | 90 | As is | in stock |
| P-887114897 | 95 | As is | in stock |
| P-502843397 | 90 | As is | in stock |
| P-13736624 | 95 | As is | 300 mg |
| P-855971168 | 95 | As is | 1000 mg |
| P-852399914 | N/A | As is | in stock |
| P-854861579 | 95 | As is | by synthesis |
| P-13880325 | 92 | As is | 300 mg |
| P-23897799 | 90 | As is | in stock |
| P-33940798 | 90 | As is | in stock |
| P-873219242 | 90 | As is | in stock |
| P-888496336 | 94 | As is | by resynthesis (? - ? days) |
| P-906811421 | 98 | As is | by synthesis |
| P-855231494 | 90 | As is | in stock |
| P-1431874 | 90 | As is | 191 mg |
| P-886909874 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 277.322 |
| logP | 1.4859 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 120.53 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 64.5753 |
| Atoms | 28 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 11 |
| Heteroatoms | 8 |
| N/O atoms | 6 |
| 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 |
