Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2720065452
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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-2720065452.sdf |
| SMILES | MCULE-2720065452.smiles |
| Standard InChI | MCULE-2720065452.inchi |
| InChIKey | MCULE-2720065452.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892865978 | 98 | As is | in stock |
| P-890161143 | N/A | As is | in stock |
| P-590355632 | 98 | As is | in stock |
| P-903169179 | 98 | As is | 300 g |
| P-606911947 | N/A | As is | in stock |
| P-489190389 | 97 | As is | in stock |
| P-596969456 | 98 | As is | 250 g |
| P-864184315 | 95 | As is | in stock |
| P-580725028 | 98 | As is | 50 g |
| P-851266974 | 95 | As is | by synthesis |
| P-868628116 | 98 | As is | in stock |
| P-505524473 | 95 | As is | in stock |
| P-524187566 | 98 | As is | 100 g |
| P-579621574 | 95 | As is | 125 g |
| P-854803606 | 95 | As is | by synthesis |
| P-906782952 | 98 | As is | by synthesis |
| P-611365548 | 90 | As is | in stock |
| P-666974436 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 250.722 |
| logP | 2.5302 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 38.05 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 68.5688 |
| Atoms | 32 |
| Rings | 2 |
| Heavy atoms | 17 |
| Hydrogen atoms | 15 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
