Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-9749603771
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 | 11 USD | 97 | 20 working days | Get Quote |
| 5 mg | 11 USD | 97 | 20 working days | Get Quote |
| 10 mg | 11 USD | 97 | 20 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.
-
1
MCULE-3033206313
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9749603771.sdf |
| SMILES | MCULE-9749603771.smiles |
| Standard InChI | MCULE-9749603771.inchi |
| InChIKey | MCULE-9749603771.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875830209 | N/A | As is | in stock |
| P-590379025 | 95 | As is | in stock |
| P-596972665 | 98 | As is | 15 g |
| P-864171253 | 98 | As is | in stock |
| P-1263526634 | 95 | As is | by synthesis |
| P-524442699 | 97 | As is | 508 mg |
| P-611508743 | 90 | As is | in stock |
| P-875851957 | N/A | Main component | in stock |
| P-892192408 | 97 | Main component | 300 g |
| P-505494461 | 95 | Main component | in stock |
| P-611472636 | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 493.524 |
| logP | -1.73422 |
| H-bond acceptors | 12 |
| H-bond donors | 1 |
| Rotatable bonds | 10 |
| PSA | 242.06 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 109.6782 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 16 |
| Heteroatoms | 16 |
| N/O atoms | 12 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |
