Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3140032458-0
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 | 49 USD | 90 | 21 working days | Get Quote |
| 5 mg | 71 USD | 95 | 37 working days | Get Quote |
| 10 mg | 71 USD | 95 | 37 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-3140032458-0.sdf |
| SMILES | MCULE-3140032458-0.smiles |
| Standard InChI | MCULE-3140032458-0.inchi |
| InChIKey | MCULE-3140032458-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886627803 | 95 | As is | in stock |
| P-889934020 | N/A | As is | by synthesis |
| P-613851347 | 95 | As is | in stock |
| P-903172260 | 95 | As is | 2.5 g |
| P-904318890 | 90 | As is | 28.206 g |
| P-580217594 | 95 | As is | by synthesis |
| P-851838167 | N/A | As is | by synthesis |
| P-596518588 | 90 | As is | 165 mg |
| P-596471247 | 90 | As is | 165 mg |
| P-901348460 | 95 | As is | by synthesis |
| P-591019467 | 95 | As is | by synthesis |
| P-454635739 | 90 | As is | in stock |
| P-436448353 | 95 | As is | 10 g |
| P-19931090 | 90 | As is | in stock |
| P-861531815 | 95 | As is | by synthesis |
| P-34796483 | 90 | As is | by synthesis |
| P-590342174 | 90 | As is | 10 g |
| P-890219510 | 90 | As is | 10 g |
| P-502552738 | 95 | As is | by synthesis |
| P-492242024 | 95 | As is | in stock |
| P-855970621 | 95 | As is | 10 g |
| P-613281447 | 95 | As is | by synthesis |
| P-14583401 | 90 | As is | 201 mg |
| P-852398504 | N/A | As is | in stock |
| P-895294823 | 95 | As is | by synthesis |
| P-13062106 | 90 | As is | 304 mg |
| P-617707902 | 90 | As is | 304 mg |
| P-856063951 | 95 | As is | in stock |
| P-19305973 | 90 | As is | in stock |
| P-502350236 | 90 | As is | in stock |
| P-888439809 | 94 | As is | by resynthesis (? - ? days) |
| P-22522984 | 90 | As is | 50 mg |
| P-611591924 | 90 | As is | in stock |
| P-893727929 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 197.659 |
| logP | 2.2409 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 29.1 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 53.7857 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| 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 |
