Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3788394698-1
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 | 13 USD | 98 | 9 working days | Get Quote |
| 5 mg | 13 USD | 98 | 9 working days | Get Quote |
| 10 mg | 13 USD | 98 | 9 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.
-
MCULE-4303984399-0
- Component type: Unknown
-
MCULE-3202431259-0
- Component type: Main
-
MCULE-8064615687-0
- Component type: Main
-
MCULE-1537536502-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3788394698-1.sdf |
| SMILES | MCULE-3788394698-1.smiles |
| Standard InChI | MCULE-3788394698-1.inchi |
| InChIKey | MCULE-3788394698-1.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875749385 | 98 | As a main component | in stock |
| P-1275148035 | 95 | As a main component | in stock |
| P-1275172794 | 98 | As a main component | in stock |
| P-903079889 | 98 | As a main component | 1000 g |
| P-1270392273 | 98 | As a main component | in stock |
| P-905024942 | N/A | As a main component | in stock |
| P-619183577 | 98 | As a main component | 1000 g |
| P-1273459051 | 95 | As a main component | by resynthesis (? - ? days) |
| P-864203264 | 95 | As a main component | in stock |
| P-904993840 | 98 | As a main component | 240.7 g |
| P-868612526 | 98 | As a main component | in stock |
| P-862128966 | 95 | As a main component | 550 g |
| P-855919136 | 97 | As a main component | 500 g |
| P-579665971 | 99 | As a main component | by resynthesis (? - ? days) |
| P-852510522 | 95 | As a main component | by synthesis |
| P-885547428 | 95 | As a main component | by synthesis |
| P-873284657 | N/A | As a main component | in stock |
| P-906774583 | 99 | As a main component | by synthesis |
| P-1271690656 | 98 | As a main component | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 122.101 |
| logP | -0.5549 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 1 |
| PSA | 53.02 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 29.254 |
| Atoms | 13 |
| Rings | 1 |
| Heavy atoms | 9 |
| Hydrogen atoms | 4 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
