C780-2598 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
Chemical Structure Depiction of ChemDiv screening compound C780-2598
N-{3-[benzyl(ethyl)amino]propyl}-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
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
C780-2598
Molecular Formula
C24H30N4O2 (C24 H30 N4 O2)
Compound Name
N-{3-[benzyl(ethyl)amino]propyl}-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
IUPAC name
N-{3-[benzyl(ethyl)amino]propyl}-4-oxo-1H2H3H3aH4H5H-pyrrolo[12-a]quinoxaline-7-carboxamide
SMILES
CCN(CCCNC(c(cc1)cc(N2)c1N(CCC1)C1C2=O)=O)Cc1ccccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
406.53
Hydrogen Bond Acceptors Count
5.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
9.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
2.616
Distribution Coefficient, logD
1.026
Water Solubility, LogSw
-3.15
Polar Surface Area
55.874
Acid Dissociation Constant (pKa)
10.28
Base Dissociation Constant (pKb)
8.98
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
41.70
C780-2598 in Drug Discovery
Included in Screening Libraries
Anti-Inflammatory Library (24602 compounds)
Antiviral Library (67538 compounds)
GPCR Targeted Library (31838 compounds)
Protein-Protein Interaction Library (218420 compounds)
Beyond the Flatland Library sp3 enriched (92988 compounds)
Included in 1.7M Stock Database
- Immune system
- Antiviral
- Infections
- Immune system
- Musculoskeletal
- Respiratory tract
- Nervous system
- Congenital
- Skin
- Metabolic
- Endocrine
- GPCR
- Receptor's ligands
- PPI modulators
- Cyclic compounds
References: we are preparing a list of scientific research reports with C780-2598 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)