Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2530042152
Compound
Show structures
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 | 19 USD | 92 | 18 working days | Get Quote |
| 5 mg | 29 USD | 92 | 18 working days | Get Quote |
| 10 mg | 36 USD | 92 | 18 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-2530042152.sdf |
| SMILES | MCULE-2530042152.smiles |
| Standard InChI | MCULE-2530042152.inchi |
| InChIKey | MCULE-2530042152.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867627567 | 95 | As is | in stock |
| P-875790441 | N/A | As is | in stock |
| P-590417147 | 95 | As is | in stock |
| P-851624452 | N/A | As is | by synthesis |
| P-489211289 | 97 | As is | in stock |
| P-596514983 | 90 | As is | 1000 mg |
| P-596417240 | 90 | As is | 1000 mg |
| P-590856808 | 95 | As is | by synthesis |
| P-492268278 | 95 | As is | in stock |
| P-504762264 | 90 | As is | 10 mg |
| P-861368749 | 95 | As is | by synthesis |
| P-580425852 | 95 | As is | by resynthesis (? - ? days) |
| P-503472758 | 90 | As is | by synthesis |
| P-488546027 | 90 | As is | in stock |
| P-13210315 | 92 | As is | 242 mg |
| P-855948185 | 95 | As is | 5 g |
| P-852384077 | N/A | As is | in stock |
| P-864014844 | 95 | As is | by synthesis |
| P-454370704 | 92 | As is | in stock |
| P-13497526 | 92 | As is | 242 mg |
| P-18976362 | 90 | As is | in stock |
| P-873214087 | 90 | As is | in stock |
| P-903654076 | 94 | As is | by resynthesis (? - ? days) |
| P-33171802 | 90 | As is | 8 mg |
| P-855216274 | 90 | As is | in stock |
| P-3240156 | 90 | As is | 442 mg |
| P-2925668 | 90 | As is | 55 mg |
| P-893668750 | 95 | As is | by synthesis |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 239.268 |
| logP | 2.97 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 2 |
| PSA | 40.54 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 73.0753 |
| Atoms | 31 |
| Rings | 3 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
