Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8106274239-0
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 42 USD | 95 | 15 working days | Get Quote |
| 10 mg | 42 USD | 95 | 15 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-8106274239-0.sdf |
| SMILES | MCULE-8106274239-0.smiles |
| Standard InChI | MCULE-8106274239-0.inchi |
| InChIKey | MCULE-8106274239-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867636046 | 90 | As is | in stock |
| P-875800919 | N/A | As is | in stock |
| P-613849091 | 95 | As is | in stock |
| P-903154966 | 95 | As is | 3 g |
| P-901179494 | N/A | As is | in stock |
| P-489120257 | 97 | As is | in stock |
| P-895100796 | 96 | As is | unavailable |
| P-901348779 | 95 | As is | by synthesis |
| P-901918443 | 95 | As is | 31.414 g |
| P-492246878 | 90 | As is | in stock |
| P-454698806 | 90 | As is | in stock |
| P-436448866 | 95 | As is | 30 g |
| P-19940224 | 90 | As is | in stock |
| P-861538933 | 95 | As is | by synthesis |
| P-34792227 | 90 | As is | by synthesis |
| P-580775054 | 90 | As is | by resynthesis (? - ? days) |
| P-580764542 | 90 | As is | in stock |
| P-596590557 | 90 | As is | 5 g |
| P-601051806 | 90 | As is | 9.515 g |
| P-468069327 | 95 | As is | 9.515 g |
| P-580507247 | N/A | As is | by synthesis |
| P-852398919 | N/A | As is | in stock |
| P-895311501 | 95 | As is | by synthesis |
| P-491127750 | 95 | As is | by synthesis |
| P-23900412 | 90 | As is | in stock |
| P-535645514 | N/A | As is | in stock |
| P-33471391 | 90 | As is | in stock |
| P-502358048 | 90 | As is | in stock |
| P-888490961 | 94 | As is | by resynthesis (? - ? days) |
| P-611459521 | 90 | As is | in stock |
| P-1304384 | 90 | As is | 1.45 g |
| P-3235167 | 90 | As is | 1.45 g |
| P-893662405 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 164.200 |
| logP | 2.2879 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 47.9355 |
| Atoms | 24 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 2 |
| 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 |
