Y040-8042 Screening compound: 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

Y040-8042 Screening compound: 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate
Y040-8042 Screening compound: 3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8042
3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

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

Y040-8042

Molecular Formula

C28H26N2O8S (C28 H26 N2 O8 S)

Compound Name

3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

IUPAC name

3-(4-nitrophenyl)-4-oxo-4H-chromen-7-yl 6-(4-methylbenzenesulfonamido)hexanoate

SMILES

Cc(cc1)ccc1S(NCCCCCC(Oc(cc1)cc(OC=C2c(cc3)ccc3[N+]([O-])=O)c1C2=O)=O)(=O)=O

InChI

InChI=1S/C28H26N2O8S/c1-19-6-13-23(14-7-19)39(35,36)29-16-4-2-3-5-27(31)38-22-12-15-24-26(17-22)37-18-25(28(24)32)20-8-10-21(11-9-20)30(33)34/h6-15,17-18,29H,2-5,16H2,1H3

InChI Key

SPKLRHGXKJKXES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01560531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.59

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.882

Distribution Coefficient, logD

4.882

Water Solubility, LogSw

-4.44

Polar Surface Area

115.896

Acid Dissociation Constant (pKa)

11.49

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

Y040-8042 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-8042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8042?
Check Price and Availability of Y040-8042, 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 Y040-8042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8042
  • 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 Y040-8042 available by request