Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2401929691-0
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 | 135 USD | 95 | 14 working days | Get Quote |
| 5 mg | 135 USD | 95 | 14 working days | Get Quote |
| 10 mg | 135 USD | 95 | 14 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-2947720224-0
- Component type: Main
-
MCULE-3047190862-0
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-2401929691-0.sdf |
| SMILES | MCULE-2401929691-0.smiles |
| Standard InChI | MCULE-2401929691-0.inchi |
| InChIKey | MCULE-2401929691-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867560152 | 95 | As is | in stock |
| P-869370940 | 95 | As is | by resynthesis (? - ? days) |
| P-903049697 | 97 | As is | 5 g |
| P-864156213 | 95 | As is | in stock |
| P-901543262 | 95 | As is | by synthesis |
| P-861344574 | 95 | As is | by synthesis |
| P-613334420 | 95 | As is | by synthesis |
| P-852554695 | N/A | As is | by synthesis |
| P-912294190 | 90 | As is | in stock |
| P-912294156 | 90 | As is | unavailable |
| P-893975909 | 97 | As is | in stock |
| P-886771537 | 95 | As a main component | in stock |
| P-890064761 | 95 | As a main component | by synthesis |
| P-903399508 | 95 | As a main component | 10 g |
| P-904305181 | 90 | As a main component | by synthesis |
| P-851613396 | N/A | As a main component | by synthesis |
| P-904756025 | N/A | As a main component | by synthesis |
| P-1268673436 | 95 | As a main component | in stock |
| P-905560095 | 95 | As a main component | by synthesis |
| P-590969782 | 95 | As a main component | by synthesis |
| P-887163538 | 95 | As a main component | by synthesis |
| P-579645728 | 95 | As a main component | by resynthesis (? - ? days) |
| P-1275858734 | 95 | As a main component | by synthesis |
| P-893775284 | 95 | As a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 184.237 |
| logP | 2.9076 |
| H-bond acceptors | 2 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 38.91 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 57.3464 |
| Atoms | 26 |
| Rings | 2 |
| Heavy atoms | 14 |
| 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 |
