Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-3397389431
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 | 10 USD | 98 | 20 working days | Get Quote |
| 5 mg | 10 USD | 98 | 20 working days | Get Quote |
| 10 mg | 10 USD | 98 | 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.
-
MCULE-1701139308
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3397389431.sdf |
| SMILES | MCULE-3397389431.smiles |
| Standard InChI | MCULE-3397389431.inchi |
| InChIKey | MCULE-3397389431.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867387087 | 98 | As is | by synthesis |
| P-867551410 | 98 | As a main component | in stock |
| P-875709453 | N/A | As a main component | in stock |
| P-869184196 | 95 | As a main component | in stock |
| P-505353767 | 98 | As a main component | in stock |
| P-505389343 | 99 | As a main component | in stock |
| P-869291423 | 95 | As a main component | in stock |
| P-596941746 | 98 | As a main component | 200 g |
| P-864262200 | 98 | As a main component | by synthesis |
| P-869385623 | 98 | As a main component | in stock |
| P-864143685 | 98 | As a main component | in stock |
| P-868545527 | 99 | As a main component | in stock |
| P-580452489 | 98 | As a main component | in stock |
| P-500375684 | 98 | As a main component | by synthesis |
| P-869163352 | 95 | As a main component | by synthesis |
| P-892299329 | 95 | As a main component | unavailable |
| P-888658723 | 95 | As a main component | 202 mg |
| P-611461028 | 90 | As a main component | in stock |
| P-611451747 | 90 | As a main component | in stock |
| P-886927857 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 246.348 |
| logP | 2.4717 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 46.33 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 73.4364 |
| Atoms | 40 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 22 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| 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 |
