Y031-0379 Screening compound: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethan-1-one

Y031-0379 Screening compound: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Y031-0379 Screening compound: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0379
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethan-1-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

Y031-0379

Molecular Formula

C18H20N2O4 (C18 H20 N2 O4)

Compound Name

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethan-1-one

IUPAC name

1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethan-1-one

SMILES

COc1ccc(CC(N(CC2)CCN2C(c2ccco2)=O)=O)cc1

InChI

InChI=1S/C18H20N2O4/c1-23-15-6-4-14(5-7-15)13-17(21)19-8-10-20(11-9-19)18(22)16-3-2-12-24-16/h2-7,12H,8-11,13H2,1H3

InChI Key

NDQRNFJSTCMOIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06152011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.572

Distribution Coefficient, logD

1.572

Water Solubility, LogSw

-1.48

Polar Surface Area

48.938

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y031-0379 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool

References: we are preparing a list of scientific research reports with Y031-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0379?
Check Price and Availability of Y031-0379, 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 Y031-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0379
  • 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 Y031-0379 available by request