Y020-7047 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxopiperazin-2-yl)acetamide

Y020-7047 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxopiperazin-2-yl)acetamide
Y020-7047 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxopiperazin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7047
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxopiperazin-2-yl)acetamide

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

Y020-7047

Molecular Formula

C14H17N3O4 (C14 H17 N3 O4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-oxopiperazin-2-yl)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-(3-oxopiperazin-2-yl)acetamide

SMILES

O=C(CC1NCCNC1=O)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C14H17N3O4/c18-13(8-10-14(19)16-4-3-15-10)17-9-1-2-11-12(7-9)21-6-5-20-11/h1-2,7,10,15H,3-6,8H2,(H,16,19)(H,17,18)/t10-/m0/s1

InChI Key

CQYXREJIOAYANE-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04161742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-1.345

Distribution Coefficient, logD

-1.636

Water Solubility, LogSw

-1.69

Polar Surface Area

76.588

Acid Dissociation Constant (pKa)

11.15

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

Y020-7047 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-7047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7047?
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What is the minimum amount of Y020-7047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7047
  • 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 Y020-7047 available by request