Y041-3829 Screening compound: 6-chloro-4-[(4-ethylpiperazin-1-yl)methyl]-2H-chromen-2-one

Y041-3829 Screening compound: 6-chloro-4-[(4-ethylpiperazin-1-yl)methyl]-2H-chromen-2-one
Y041-3829 Screening compound: 6-chloro-4-[(4-ethylpiperazin-1-yl)methyl]-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3829
6-chloro-4-[(4-ethylpiperazin-1-yl)methyl]-2H-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

Y041-3829

Molecular Formula

C16H19ClN2O2 (C16 H19 ClN2 O2)

Compound Name

6-chloro-4-[(4-ethylpiperazin-1-yl)methyl]-2H-chromen-2-one

IUPAC name

6-chloro-4-[(4-ethylpiperazin-1-yl)methyl]-2H-chromen-2-one

SMILES

CCN1CCN(CC(c(cc(cc2)Cl)c2O2)=CC2=O)CC1

InChI

InChI=1S/C16H19ClN2O2/c1-2-18-5-7-19(8-6-18)11-12-9-16(20)21-15-4-3-13(17)10-14(12)15/h3-4,9-10H,2,5-8,11H2,1H3

InChI Key

RGMHQYBQSMZQDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06599545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.050

Distribution Coefficient, logD

0.765

Water Solubility, LogSw

-3.19

Polar Surface Area

27.915

Acid Dissociation Constant (pKa)

29.58

Base Dissociation Constant (pKb)

8.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

Y041-3829 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y041-3829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3829?
Check Price and Availability of Y041-3829, 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 Y041-3829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3829
  • 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 Y041-3829 available by request