C795-0794 Screening compound: 5-[2-(azepan-1-yl)-2-oxoethyl]-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one

C795-0794 Screening compound: 5-[2-(azepan-1-yl)-2-oxoethyl]-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one
C795-0794 Screening compound: 5-[2-(azepan-1-yl)-2-oxoethyl]-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0794
5-[2-(azepan-1-yl)-2-oxoethyl]-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one

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

C795-0794

Molecular Formula

C19H21N3O2 (C19 H21 N3 O2)

Compound Name

5-[2-(azepan-1-yl)-2-oxoethyl]-4H,5H-pyrrolo[1,2-a]quinoxalin-4-one

IUPAC name

5-[2-(azepan-1-yl)-2-oxoethyl]-4H5H-pyrrolo[12-a]quinoxalin-4-one

SMILES

O=C(CN(c(cccc1)c1-n1c2ccc1)C2=O)N1CCCCCC1

InChI

InChI=1S/C19H21N3O2/c23-18(20-11-5-1-2-6-12-20)14-22-16-9-4-3-8-15(16)21-13-7-10-17(21)19(22)24/h3-4,7-10,13H,1-2,5-6,11-12,14H2

InChI Key

JEGZABVZOJORRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.786

Distribution Coefficient, logD

2.786

Water Solubility, LogSw

-3.02

Polar Surface Area

33.689

Acid Dissociation Constant (pKa)

22.71

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

C795-0794 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C795-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0794?
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What is the minimum amount of C795-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0794
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C795-0794 available by request