Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-9786593521
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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 72 USD | 95 | 22 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-9274806625
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-9786593521.sdf |
| SMILES | MCULE-9786593521.smiles |
| Standard InChI | MCULE-9786593521.inchi |
| InChIKey | MCULE-9786593521.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886622813 | 95 | As is | in stock |
| P-889931670 | N/A | As is | by synthesis |
| P-869304253 | 95 | As is | in stock |
| P-903164736 | 95 | As is | 2.5 g |
| P-589662731 | 95 | As is | by resynthesis (? - ? days) |
| P-864263989 | 95 | As is | by synthesis |
| P-901500981 | 95 | As is | by synthesis |
| P-864074518 | 95 | As is | by synthesis |
| P-19373637 | 90 | As is | in stock |
| P-2557458 | 90 | As is | 151 mg |
| P-893764250 | 95 | As is | by synthesis |
| P-867669017 | 95 | As a main component | in stock |
| P-875843006 | N/A | As a main component | in stock |
| P-904554201 | 95 | As a main component | in stock |
| P-851644608 | N/A | As a main component | by synthesis |
| P-611176311 | 95 | As a main component | by synthesis |
| P-616227075 | 95 | As a main component | in stock |
| P-427940444 | 90 | As a main component | 25 mg |
| P-861377195 | 95 | As a main component | by synthesis |
| P-855950323 | 95 | As a main component | 5 g |
| P-864060902 | 95 | As a main component | by synthesis |
| P-611453867 | 90 | As a main component | in stock |
| P-893665499 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 169.649 |
| logP | 2.8404 |
| H-bond acceptors | 1 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 12.03 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 48.8337 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 11 |
| Hydrogen atoms | 12 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
