D154-0052 Screening compound: 6-ethoxy-4-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2H-chromen-2-one

D154-0052 Screening compound: 6-ethoxy-4-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2H-chromen-2-one
D154-0052 Screening compound: 6-ethoxy-4-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D154-0052
6-ethoxy-4-{[4-(furan-2-carbonyl)piperazin-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

D154-0052

Molecular Formula

C21H22N2O5 (C21 H22 N2 O5)

Compound Name

6-ethoxy-4-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2H-chromen-2-one

IUPAC name

6-ethoxy-4-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-2H-chromen-2-one

SMILES

CCOc(cc1)cc(C(CN(CC2)CCN2C(c2ccco2)=O)=C2)c1OC2=O

InChI

InChI=1S/C21H22N2O5/c1-2-26-16-5-6-18-17(13-16)15(12-20(24)28-18)14-22-7-9-23(10-8-22)21(25)19-4-3-11-27-19/h3-6,11-13H,2,7-10,14H2,1H3

InChI Key

ABDSUZAIKFTNTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08069973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.917

Distribution Coefficient, logD

1.917

Water Solubility, LogSw

-2.95

Polar Surface Area

56.536

Acid Dissociation Constant (pKa)

29.37

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D154-0052 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D154-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D154-0052?
Check Price and Availability of D154-0052, 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 D154-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D154-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D154-0052
  • 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 D154-0052 available by request