Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1415451753
Compound
Show structure
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 | 20 working days | Get Quote |
| 5 mg | 6 USD | 98 | 20 working days | Get Quote |
| 10 mg | 6 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-1415451753.sdf |
| SMILES | MCULE-1415451753.smiles |
| Standard InChI | MCULE-1415451753.inchi |
| InChIKey | MCULE-1415451753.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867546724 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875703397 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869193496 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-575539751 | AK Scientific | Building Blocks | 99 | As is | in stock |
| P-436469709 | Alinda | Building Blocks | 95 | As is | in stock |
| P-606919453 | AmBeed | In stock | N/A | As is | in stock |
| P-489153587 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596939813 | Angene | Building Blocks in stock | 98 | As is | 5.38 kg |
| P-494328471 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864184520 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-584630316 | BLD pharm | In-stock building blocks | 98 | As is | 635 g |
| P-893228823 | Biosynth | In Stock | 95 | As is | in stock |
| P-505572736 | Bosche Scientific | Bosche Products | 98 | As is | in stock |
| P-454639427 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-449699987 | ChemDiv | New Chemistry Library | 90 | As is | 14 mg |
| P-868615665 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-580443717 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861983472 | FluoroChem | General BB | N/A | As is | in stock |
| P-505493021 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-454417718 | Key Organics | Building Blocks | 97 | As is | 40 g |
| P-454353438 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
| P-31196895 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-611664049 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852450763 | Matrix Scientific | All | N/A | As is | in stock |
| P-428009650 | Maybridge | Screening Collection | 90 | As is | 10.04 kg |
| P-863710242 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-500372218 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-885542128 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502360730 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611408882 | Toronto Research | In stock | 90 | As is | in stock |
| P-893936161 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 250.333 |
| logP | 3.6854 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 57.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 73.9643 |
| Atoms | 40 |
| Rings | 1 |
| Heavy atoms | 18 |
| Hydrogen atoms | 22 |
| 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 |
