Y041-1183 Screening compound: propyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-chromen-3-yl}oxy)benzoate

Y041-1183 Screening compound: propyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-chromen-3-yl}oxy)benzoate
Y041-1183 Screening compound: propyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-chromen-3-yl}oxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1183
propyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-chromen-3-yl}oxy)benzoate

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

Y041-1183

Molecular Formula

C25H28N2O6 (C25 H28 N2 O6)

Compound Name

propyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-chromen-3-yl}oxy)benzoate

IUPAC name

propyl 4-({7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4-oxo-4H-chromen-3-yl}oxy)benzoate

SMILES

CCCOC(c(cc1)ccc1OC1=COc(c(CN2CCN(C)CC2)c(cc2)O)c2C1=O)=O

InChI

InChI=1S/C25H28N2O6/c1-3-14-31-25(30)17-4-6-18(7-5-17)33-22-16-32-24-19(23(22)29)8-9-21(28)20(24)15-27-12-10-26(2)11-13-27/h4-9,16,28H,3,10-15H2,1-2H3

InChI Key

YZBMOLWVWYHQKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04179753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.637

Distribution Coefficient, logD

2.838

Water Solubility, LogSw

-3.51

Polar Surface Area

72.059

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

Y041-1183 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y041-1183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1183?
Check Price and Availability of Y041-1183, 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 Y041-1183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1183
  • 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 Y041-1183 available by request