Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1319764125-0
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 | 18 USD | 98 | 20 working days | Get Quote |
| 5 mg | 18 USD | 98 | 20 working days | Get Quote |
| 10 mg | 18 USD | 98 | 20 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-1319764125-0.sdf |
| SMILES | MCULE-1319764125-0.smiles |
| Standard InChI | MCULE-1319764125-0.inchi |
| InChIKey | MCULE-1319764125-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867551736 | 94 | As is | in stock |
| P-875709622 | N/A | As is | in stock |
| P-590390220 | 94 | As is | in stock |
| P-903036613 | 98 | As is | 40 g |
| P-905495248 | 97 | As is | 100 g |
| P-893572750 | 90 | As is | 190.341 g |
| P-851744997 | N/A | As is | by synthesis |
| P-892187398 | 98 | As is | 40 g |
| P-889565500 | 98 | As is | in stock |
| P-591072388 | 95 | As is | by synthesis |
| P-577211037 | 90 | As is | 52 mg |
| P-861413282 | 95 | As is | by synthesis |
| P-580403992 | 95 | As is | by resynthesis (? - ? days) |
| P-428624779 | 90 | As is | in stock |
| P-594269205 | 90 | As is | in stock |
| P-492272949 | 95 | As is | 1.16 g |
| P-861923618 | 98 | As is | 9 g |
| P-905328765 | 98 | As is | 9 g |
| P-502981547 | 90 | As is | in stock |
| P-492246076 | 95 | As is | in stock |
| P-488551553 | 90 | As is | in stock |
| P-13758529 | 95 | As is | 300 mg |
| P-588710546 | 97 | As is | unavailable |
| P-579680862 | 95 | As is | by resynthesis (? - ? days) |
| P-856023490 | 90 | As is | unavailable |
| P-852376238 | N/A | As is | in stock |
| P-519757612 | 97 | As is | 63.5 g |
| P-35226001 | 97 | As is | 63.5 kg |
| P-895222045 | 95 | As is | in stock |
| P-26440152 | 90 | As is | 1.16 g |
| P-620225387 | 95 | As is | 1.16 g |
| P-454372422 | 92 | As is | in stock |
| P-13957694 | 92 | As is | 300 mg |
| P-500391079 | 94 | As is | by synthesis |
| P-856072561 | 95 | As is | in stock |
| P-19820190 | 90 | As is | in stock |
| P-502372186 | 90 | As is | in stock |
| P-2790807 | 90 | As is | 1.012 g |
| P-464682300 | 90 | As is | 1.012 g |
| P-893982987 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 273.164 |
| logP | 2.5372 |
| H-bond acceptors | 5 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 79.65 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 57.4083 |
| Atoms | 25 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 6 |
| Heteroatoms | 8 |
| N/O atoms | 5 |
| 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 |
