Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1325791085
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 | 3 USD | 98 | 14 working days | Get Quote |
| 5 mg | 3 USD | 98 | 14 working days | Get Quote |
| 10 mg | 3 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-1325791085.sdf |
| SMILES | MCULE-1325791085.smiles |
| Standard InChI | MCULE-1325791085.inchi |
| InChIKey | MCULE-1325791085.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867539027 | 98 | As is | in stock |
| P-875695420 | N/A | As is | in stock |
| P-535624590 | 98 | As is | in stock |
| P-881672350 | 95 | As is | in stock |
| P-505392003 | 98 | As is | in stock |
| P-903017186 | 98 | As is | 1000 g |
| P-606884329 | N/A | As is | in stock |
| P-489160070 | 97 | As is | in stock |
| P-596937541 | 98 | As is | 1000 g |
| P-895925697 | 95 | As is | by resynthesis (? - ? days) |
| P-864185190 | 95 | As is | in stock |
| P-590604602 | 98 | As is | 2.175 kg |
| P-893253947 | 95 | As is | by synthesis |
| P-868626059 | 98 | As is | in stock |
| P-905359076 | 97 | As is | 1000 g |
| P-505498204 | 95 | As is | in stock |
| P-524165464 | 97 | As is | 99.995 g |
| P-856006015 | 97 | As is | 99.995 g |
| P-579621945 | 95 | As is | unavailable |
| P-854737116 | 95 | As is | in stock |
| P-889866718 | 95 | As is | by synthesis |
| P-502333717 | 90 | As is | in stock |
| P-22454991 | 90 | As is | 1000 mg |
| P-906905259 | 99 | As is | in stock |
| P-906874394 | 98 | As is | by synthesis |
| P-906838814 | 98 | As is | by synthesis |
| P-906758946 | 98 | As is | by synthesis |
| P-906832300 | 98 | As is | by synthesis |
| P-906761931 | 97 | As is | by synthesis |
| P-906813153 | 98 | As is | by synthesis |
| P-906830437 | 95 | As is | by synthesis |
| P-906836198 | 97 | As is | by synthesis |
| P-906846952 | 95 | As is | by synthesis |
| P-855354457 | 90 | As is | in stock |
| P-480163016 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 286.321 |
| logP | 3.2686 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 77.76 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 80.8238 |
| Atoms | 39 |
| Rings | 2 |
| Heavy atoms | 21 |
| Hydrogen atoms | 18 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
