Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1808844131-2
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 | 6 USD | 98 | 14 working days | Get Quote |
| 5 mg | 6 USD | 98 | 14 working days | Get Quote |
| 10 mg | 6 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-1808844131-2.sdf |
| SMILES | MCULE-1808844131-2.smiles |
| Standard InChI | MCULE-1808844131-2.inchi |
| InChIKey | MCULE-1808844131-2.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-892978751 | N/A | As is | by synthesis |
| P-867558664 | 95 | As is | in stock |
| P-875718105 | N/A | As is | in stock |
| P-903046478 | 98 | As is | 200 g |
| P-494451917 | 95 | As is | by resynthesis (? - ? days) |
| P-864120327 | 95 | As is | in stock |
| P-619934644 | 90 | As is | by synthesis |
| P-620802592 | 95 | As is | in stock |
| P-851247163 | 95 | As is | by synthesis |
| P-868648174 | 96 | As is | in stock |
| P-34840441 | 90 | As is | by synthesis |
| P-861980683 | 95 | As is | 291.663 g |
| P-579522354 | 90 | As is | 1 mg |
| P-890211189 | 90 | As is | in stock |
| P-502716647 | 90 | As is | in stock |
| P-492215464 | 95 | As is | in stock |
| P-578142811 | 90 | As is | in stock |
| P-13761743 | 95 | As is | 300 mg |
| P-856076438 | 95 | As is | unavailable |
| P-500223531 | 96 | As is | in stock |
| P-588250303 | N/A | As is | by synthesis |
| P-12678853 | 90 | As is | 12 mg |
| P-454369370 | 92 | As is | in stock |
| P-13947132 | 92 | As is | 300 mg |
| P-615416819 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 152.078 |
| logP | 0.9869 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 67.59 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 25.7891 |
| Atoms | 13 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 3 |
| Heteroatoms | 7 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 3 |
| 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 |
