Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9376057090-1
Structure
Show compound
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 | 20 USD | 97 | 8 working days | Get Quote |
| 10 mg | 20 USD | 97 | 8 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-9376057090-1.sdf |
| SMILES | MCULE-9376057090-1.smiles |
| Standard InChI | MCULE-9376057090-1.inchi |
| InChIKey | MCULE-9376057090-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-852109004 | 90 | As is | by synthesis |
| P-875690361 | 97 | As is | in stock |
| P-889936510 | 90 | As is | by synthesis |
| P-869353497 | 97 | As is | by resynthesis (? - ? days) |
| P-903010741 | 98 | As is | 10 g |
| P-1270315497 | 97 | As is | in stock |
| P-851943768 | N/A | As is | in stock |
| P-494331268 | 95 | As is | by resynthesis (? - ? days) |
| P-864200588 | 95 | As is | in stock |
| P-666962561 | 97 | As is | 6.35 g |
| P-504734789 | 85 | As is | 5 mg |
| P-893361654 | 90 | As is | 1000 mg |
| P-577180610 | 90 | As is | by synthesis |
| P-454756909 | 90 | As is | in stock |
| P-436476949 | 95 | As is | in stock |
| P-851245293 | 95 | As is | by synthesis |
| P-870584766 | 95 | As is | in stock |
| P-34525423 | 90 | As is | by synthesis |
| P-580776637 | 90 | As is | by resynthesis (? - ? days) |
| P-580766009 | 90 | As is | in stock |
| P-1275233859 | 90 | As is | in stock |
| P-580282934 | N/A | As is | by resynthesis (? - ? days) |
| P-575335568 | 95 | As is | in stock |
| P-569202616 | 90 | As is | in stock |
| P-14042352 | 90 | As is | no data |
| P-492229819 | 95 | As is | in stock |
| P-502944155 | 90 | As is | in stock |
| P-31258042 | 90 | As is | unavailable |
| P-580473667 | 95 | As is | by synthesis |
| P-1272597293 | 95 | As is | 10 g |
| P-852521595 | 95 | As is | by synthesis |
| P-519753157 | 97 | As is | in stock |
| P-428012762 | 97 | As is | in stock |
| P-423784424 | 90 | As is | 10 mg |
| P-888902414 | N/A | As is | in stock |
| P-13513506 | 92 | As is | 300 mg |
| P-906758253 | 98 | As is | by synthesis |
| P-611388766 | 90 | As is | in stock |
| P-1271715153 | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 178.145 |
| logP | 1.3679 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 2 |
| PSA | 79.12 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.249 |
| Atoms | 19 |
| Rings | 2 |
| Heavy atoms | 13 |
| Hydrogen atoms | 6 |
| Heteroatoms | 5 |
| N/O atoms | 5 |
| 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 |
