Y040-8044 Screening compound: 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-(4-methylbenzenesulfonamido)propanoate

Y040-8044 Screening compound: 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-(4-methylbenzenesulfonamido)propanoate
Y040-8044 Screening compound: 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-(4-methylbenzenesulfonamido)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8044
3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-(4-methylbenzenesulfonamido)propanoate

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

Y040-8044

Molecular Formula

C25H20N2O8S (C25 H20 N2 O8 S)

Compound Name

3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 2-(4-methylbenzenesulfonamido)propanoate

IUPAC name

3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl (2S)-2-(4-methylbenzenesulfonamido)propanoate

SMILES

CC(C(Oc(cc1)cc(OC=C2c(cc3)ccc3[N+]([O-])=O)c1C2=O)=O)NS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C25H20N2O8S/c1-15-3-10-20(11-4-15)36(32,33)26-16(2)25(29)35-19-9-12-21-23(13-19)34-14-22(24(21)28)17-5-7-18(8-6-17)27(30)31/h3-14,16,26H,1-2H3/t16-/m0/s1

InChI Key

ABYAUGABWGSJGE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03469090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.51

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.38

Polar Surface Area

116.026

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-7.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

Y040-8044 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CORONAVIRUS Library (20774 compounds)

Human Receptors Annotated Library (5376 compounds)

PLpro Library (6343 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-8044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8044?
Check Price and Availability of Y040-8044, 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 Y040-8044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8044
  • 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 Y040-8044 available by request