Y041-2811 Screening compound: ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-chromen-3-yl}oxy)benzoate

Y041-2811 Screening compound: ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-chromen-3-yl}oxy)benzoate
Y041-2811 Screening compound: ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-chromen-3-yl}oxy)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-2811
ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-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

Y041-2811

Molecular Formula

C21H21NO6 (C21 H21 NO6)

Compound Name

ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-chromen-3-yl}oxy)benzoate

IUPAC name

ethyl 4-({8-[(dimethylamino)methyl]-7-hydroxy-4-oxo-4H-chromen-3-yl}oxy)benzoate

SMILES

CCOC(c(cc1)ccc1OC1=COc(c(CN(C)C)c(cc2)O)c2C1=O)=O

InChI

InChI=1S/C21H21NO6/c1-4-26-21(25)13-5-7-14(8-6-13)28-18-12-27-20-15(19(18)24)9-10-17(23)16(20)11-22(2)3/h5-10,12,23H,4,11H2,1-3H3

InChI Key

XYJKGZIJDWLKDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04162205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.286

Distribution Coefficient, logD

2.773

Water Solubility, LogSw

-3.36

Polar Surface Area

68.443

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

7.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y041-2811 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y041-2811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-2811?
Check Price and Availability of Y041-2811, 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 Y041-2811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-2811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-2811
  • 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 Y041-2811 available by request