Y040-8810 Screening compound: 2-{2-[(4-chlorophenyl)formamido]-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanamido}butanoic acid

Y040-8810 Screening compound: 2-{2-[(4-chlorophenyl)formamido]-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanamido}butanoic acid
Y040-8810 Screening compound: 2-{2-[(4-chlorophenyl)formamido]-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanamido}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8810
2-{2-[(4-chlorophenyl)formamido]-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanamido}butanoic acid

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

Y040-8810

Molecular Formula

C23H22ClN3O5 (C23 H22 ClN3 O5)

Compound Name

2-{2-[(4-chlorophenyl)formamido]-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanamido}butanoic acid

IUPAC name

2-{2-[(4-chlorophenyl)formamido]-3-(2-oxo-12-dihydroquinolin-4-yl)propanamido}butanoic acid

SMILES

CCC(C(O)=O)NC(C(CC(c(cccc1)c1N1)=CC1=O)NC(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C23H22ClN3O5/c1-2-17(23(31)32)26-22(30)19(27-21(29)13-7-9-15(24)10-8-13)11-14-12-20(28)25-18-6-4-3-5-16(14)18/h3-10,12,17,19H,2,11H2,1H3,(H,25,28)(H,26,30)(H,27,29)(H,31,32)

InChI Key

OTGCNLMXRLINMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09847953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.957

Distribution Coefficient, logD

-1.703

Water Solubility, LogSw

-3.12

Polar Surface Area

101.826

Acid Dissociation Constant (pKa)

3.74

Base Dissociation Constant (pKb)

-1.71

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.70

Y040-8810 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

New Agro Library (44492 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-8810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8810?
Check Price and Availability of Y040-8810, 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 Y040-8810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8810
  • 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 Y040-8810 available by request