Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5139837896
Compound
Show structures
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 | 18 USD | 99 | 15 working days | Get Quote |
| 5 mg | 44 USD | 99 | 15 working days | Get Quote |
| 10 mg | 67 USD | 99 | 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-5139837896.sdf |
| SMILES | MCULE-5139837896.smiles |
| Standard InChI | MCULE-5139837896.inchi |
| InChIKey | MCULE-5139837896.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867592299 | 98 | As is | in stock |
| P-875750212 | N/A | As is | in stock |
| P-505394568 | 98 | As is | in stock |
| P-590360219 | 98 | As is | in stock |
| P-505401644 | 95 | As is | in stock |
| P-903082233 | 99 | As is | 40 mg |
| P-606847939 | N/A | As is | in stock |
| P-489208589 | 97 | As is | in stock |
| P-596955996 | 98 | As is | 300 mg |
| P-580194012 | 98 | As is | in stock |
| P-864173645 | 98 | As is | in stock |
| P-868544053 | 99 | As is | in stock |
| P-580718526 | 99 | As is | 468 mg |
| P-901523379 | 95 | As is | by synthesis |
| P-851268636 | 95 | As is | by synthesis |
| P-860798744 | 98 | As is | in stock |
| P-861509468 | 95 | As is | by synthesis |
| P-579479179 | 95 | As is | in stock |
| P-580385001 | N/A | As is | by resynthesis (? - ? days) |
| P-675216211 | 95 | As is | in stock |
| P-524166998 | 95 | As is | 100 mg |
| P-1263152999 | 95 | As is | by synthesis |
| P-854718469 | 95 | As is | in stock |
| P-474023872 | 95 | As is | in stock |
| P-619671964 | 98 | As is | in stock |
| P-579712270 | N/A | As is | in stock |
| P-893884624 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 382.453 |
| logP | 6.2527 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 65.98 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 116.005 |
| Atoms | 51 |
| Rings | 5 |
| Heavy atoms | 29 |
| Hydrogen atoms | 22 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
