Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1380641596-0
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 | 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-1380641596-0.sdf |
| SMILES | MCULE-1380641596-0.smiles |
| Standard InChI | MCULE-1380641596-0.inchi |
| InChIKey | MCULE-1380641596-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869307529 | 95 | As is | in stock |
| P-893578004 | 90 | As is | 41.02 g |
| P-489106850 | 97 | As is | in stock |
| P-895946769 | 95 | As is | by resynthesis (? - ? days) |
| P-864187427 | 98 | As is | in stock |
| P-584384988 | 90 | As is | 5 mg |
| P-454718741 | 90 | As is | in stock |
| P-436460155 | 95 | As is | in stock |
| P-517167335 | 90 | As is | in stock |
| P-868603950 | 95 | As is | in stock |
| P-580759675 | 90 | As is | by synthesis |
| P-578136174 | 90 | As is | in stock |
| P-13533457 | 92 | As is | 300 mg |
| P-596587935 | 90 | As is | 10 g |
| P-856018449 | 90 | As is | 250 mg |
| P-852431788 | N/A | As is | in stock |
| P-454363617 | 92 | As is | in stock |
| P-864654640 | 92 | As is | 300 mg |
| P-491190649 | 95 | As is | by synthesis |
| P-23969662 | 90 | As is | in stock |
| P-896073089 | N/A | As is | 1.167 g |
| P-22453107 | 90 | As is | 153 mg |
| P-611389279 | 90 | As is | in stock |
| P-2376244 | 90 | As is | 1.534 g |
| P-3227644 | 90 | As is | 1.534 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 214.023 |
| logP | 1.2788 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 0 |
| PSA | 80.48 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 43.7881 |
| Atoms | 15 |
| Rings | 2 |
| Heavy atoms | 11 |
| Hydrogen atoms | 4 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
