Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3737492660
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 | 22 USD | 98 | 15 working days | Get Quote |
| 5 mg | 53 USD | 98 | 15 working days | Get Quote |
| 10 mg | 84 USD | 98 | 15 working days | Get Quote |
- 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-3328658720
- Component type: Main
-
MCULE-4751376350
- Component type: Main
-
MCULE-1174041839
- Component type: Main
-
MCULE-7636714835
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-3737492660.sdf |
| SMILES | MCULE-3737492660.smiles |
| Standard InChI | MCULE-3737492660.inchi |
| InChIKey | MCULE-3737492660.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875696996 | 98 | As is | in stock |
| P-1264053503 | 95 | As is | in stock |
| P-613257654 | 98 | As is | 241 mg |
| P-871212281 | 95 | As is | by synthesis |
| P-887192954 | 95 | As is | by synthesis |
| P-868659740 | 95 | As is | in stock |
| P-854621084 | 98 | As is | in stock |
| P-579628721 | 95 | As is | in stock |
| P-895182769 | 95 | As is | in stock |
| P-871072345 | 95 | As is | in stock |
| P-590758392 | 99 | As a main component | by synthesis |
| P-590774002 | 98 | As a main component | by synthesis |
| P-579480023 | 95 | As a main component | in stock |
| P-854705171 | 95 | As a main component | by synthesis |
| P-854716587 | 95 | As a main component | in stock |
| P-853429630 | 98 | As an isomer | by resynthesis (? - ? days) |
| P-872722894 | 98 | As an isomer | in stock |
| P-893584246 | 90 | As an isomer | 5.564 g |
| P-1270365239 | 98 | As an isomer | in stock |
| P-851937384 | N/A | As an isomer | in stock |
| P-619136899 | 98 | As an isomer | 250 mg |
| P-1273260449 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-1273297401 | 95 | As an isomer | by resynthesis (? - ? days) |
| P-864193682 | 95 | As an isomer | in stock |
| P-855917089 | 97 | As an isomer | 100 mg |
| P-878642593 | 98 | As an isomer | in stock |
| P-885558847 | 95 | As an isomer | by synthesis |
| P-904255771 | 95 | As an isomer | unavailable |
| P-869175085 | 95 | As an isomer | 51 mg |
| P-888664858 | 95 | As an isomer | 51 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 449.675 |
| logP | 7.4832 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 9 |
| PSA | 68.95 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 136.778 |
| Atoms | 62 |
| Rings | 3 |
| Heavy atoms | 31 |
| Hydrogen atoms | 31 |
| Heteroatoms | 4 |
| 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 | 1 |
| Cis/trans stereo double bonds | 1 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
