Y041-5180 Screening compound: 2-{2-[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-(1H-indol-3-yl)propanoic acid

Y041-5180 Screening compound: 2-{2-[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-(1H-indol-3-yl)propanoic acid
Y041-5180 Screening compound: 2-{2-[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-(1H-indol-3-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5180
2-{2-[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-(1H-indol-3-yl)propanoic 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

Y041-5180

Molecular Formula

C25H24N2O6 (C25 H24 N2 O6)

Compound Name

2-{2-[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-(1H-indol-3-yl)propanoic acid

IUPAC name

(2S)-2-{2-[(4-ethyl-2-oxo-2H-chromen-7-yl)oxy]propanamido}-3-(1H-indol-3-yl)propanoic acid

SMILES

CCC(c(ccc(OC(C)C(NC(Cc1c[nH]c2c1cccc2)C(O)=O)=O)c1)c1O1)=CC1=O

InChI

InChI=1S/C25H24N2O6/c1-3-15-11-23(28)33-22-12-17(8-9-19(15)22)32-14(2)24(29)27-21(25(30)31)10-16-13-26-20-7-5-4-6-18(16)20/h4-9,11-14,21,26H,3,10H2,1-2H3,(H,27,29)(H,30,31)/t14?,21-/m0/s1

InChI Key

IGAYEPRLKCNKLH-YNNZGITBSA-N

MDL Number (MFCD)

MFCD06763797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.228

Distribution Coefficient, logD

-1.362

Water Solubility, LogSw

-2.95

Polar Surface Area

89.757

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

Y041-5180 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 Y041-5180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5180?
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What is the minimum amount of Y041-5180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5180
  • 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 Y041-5180 available by request