E524-1761 Screening compound: 4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}-N~1~-[3-(propylsulfanyl)propyl]benzamide
Chemical Structure Depiction of ChemDiv screening compound E524-1761
4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}-N~1~-[3-(propylsulfanyl)propyl]benzamide
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
E524-1761
Molecular Formula
C24H26N4O2S (C24 H26 N4 O2 S)
Compound Name
4-{[6-oxopyrido[2,3-e]pyrrolo[1,2-a]pyrazin-5(6H)-yl]methyl}-N~1~-[3-(propylsulfanyl)propyl]benzamide
IUPAC name
4-({7-oxo-2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)35911-pentaen-8-yl}methyl)-N-[3-(propylsulfanyl)propyl]benzamide
SMILES
CCCSCCCNC(c1ccc(CN(C2=O)c3ncccc3-n3c2ccc3)cc1)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
434.56
Hydrogen Bond Acceptors Count
6.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
6
Partition Coefficient, logP
3.726
Distribution Coefficient, logD
3.726
Water Solubility, LogSw
-3.85
Polar Surface Area
51.823
Acid Dissociation Constant (pKa)
14.11
Base Dissociation Constant (pKb)
2.18
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
29.20
E524-1761 in Drug Discovery
Included in Screening Libraries
3D-Biodiversity Library (27607 compounds)
Anti-Inflammatory Library (24602 compounds)
Antiviral Library (67538 compounds)
ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)
Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)
Included in 1.7M Stock Database
- 3D
- Immune system
- Antiviral
- Infections
- Immune system
References: we are preparing a list of scientific research reports with E524-1761 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)