Y041-3837 Screening compound: 4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H,6H,7H,8H-cyclopenta[g]chromen-2-one

Y041-3837 Screening compound: 4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H,6H,7H,8H-cyclopenta[g]chromen-2-one
Y041-3837 Screening compound: 4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H,6H,7H,8H-cyclopenta[g]chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3837
4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H,6H,7H,8H-cyclopenta[g]chromen-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

Y041-3837

Molecular Formula

C19H24N2O3 (C19 H24 N2 O3)

Compound Name

4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H,6H,7H,8H-cyclopenta[g]chromen-2-one

IUPAC name

4-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2H6H7H8H-cyclopenta[g]chromen-2-one

SMILES

OCCN1CCN(CC(c(cc(CCC2)c2c2)c2O2)=CC2=O)CC1

InChI

InChI=1S/C19H24N2O3/c22-9-8-20-4-6-21(7-5-20)13-16-12-19(23)24-18-11-15-3-1-2-14(15)10-17(16)18/h10-12,22H,1-9,13H2

InChI Key

NQIWHYVNHNVKIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06602411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.618

Distribution Coefficient, logD

1.122

Water Solubility, LogSw

-1.99

Polar Surface Area

45.111

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

Y041-3837 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-3837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3837?
Check Price and Availability of Y041-3837, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-3837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3837
  • 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 Y041-3837 available by request