Y020-6229 Screening compound: 3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-decahydroquinoxalin-2-one

Y020-6229 Screening compound: 3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-decahydroquinoxalin-2-one
Y020-6229 Screening compound: 3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-decahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-6229
3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-decahydroquinoxalin-2-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

Y020-6229

Molecular Formula

C21H30N4O3 (C21 H30 N4 O3)

Compound Name

3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-decahydroquinoxalin-2-one

IUPAC name

3-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-decahydroquinoxalin-2-one

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CC1NC(CCCC2)C2NC1=O)=O

InChI

InChI=1S/C21H30N4O3/c1-28-16-8-6-15(7-9-16)24-10-12-25(13-11-24)20(26)14-19-21(27)23-18-5-3-2-4-17(18)22-19/h6-9,17-19,22H,2-5,10-14H2,1H3,(H,23,27)

InChI Key

WWOXUPFIGQWPHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06612484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.687

Distribution Coefficient, logD

0.672

Water Solubility, LogSw

-2.17

Polar Surface Area

65.706

Acid Dissociation Constant (pKa)

15.65

Base Dissociation Constant (pKb)

8.37

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.90

Y020-6229 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with Y020-6229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-6229?
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What is the minimum amount of Y020-6229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-6229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-6229
  • 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 Y020-6229 available by request