D537-0526 Screening compound: ethyl 3-[1-(3-propoxyquinoxalin-2-yl)piperidine-3-amido]benzoate
Chemical Structure Depiction of ChemDiv screening compound D537-0526
ethyl 3-[1-(3-propoxyquinoxalin-2-yl)piperidine-3-amido]benzoate
Available from 1 mg
Formats:
- Glass Vials (4ml Glass Vials VWR #97047-678)
- 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)
Shiptime: 1 week worldwide delivery in most cases
Compound Identifiers
ChemDiv Compound ID
D537-0526
Molecular Formula
C26H30N4O4 (C26 H30 N4 O4)
Compound Name
ethyl 3-[1-(3-propoxyquinoxalin-2-yl)piperidine-3-amido]benzoate
IUPAC name
ethyl 3-[1-(3-propoxyquinoxalin-2-yl)piperidine-3-amido]benzoate
SMILES
CCCOc1nc2ccccc2nc1N(CCC1)CC1C(Nc1cccc(C(OCC)=O)c1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
462.55
Hydrogen Bond Acceptors Count
8.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
5.531
Distribution Coefficient, logD
5.531
Water Solubility, LogSw
-5.34
Polar Surface Area
72.511
Acid Dissociation Constant (pKa)
11.30
Base Dissociation Constant (pKb)
2.74
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
38.50
D537-0526 in Drug Discovery
Included in Screening Libraries
Nonpeptide Peptidomimetics PPI Library (18997 compounds)
Protein Kinases Inhibitors Library (36801 compounds)
Protein-Protein Interaction Library (218420 compounds)
SmartTM Library (51161 compounds)
Peptidomimetic Library (37031 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Nervous system
- Hemic and lymphatic
- Cardiovascular
- Kinases
References: we are preparing a list of scientific research reports with D537-0526 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)