Y043-5847 Screening compound: 2-({2-[(E)-1-(2-furyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetic acid

Y043-5847 Screening compound: 2-({2-[(E)-1-(2-furyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetic acid
Y043-5847 Screening compound: 2-({2-[(E)-1-(2-furyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5847
2-({2-[(E)-1-(2-furyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetic 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

Y043-5847

Molecular Formula

C15H10O6 (C15 H10 O6)

Compound Name

2-({2-[(E)-1-(2-furyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)acetic acid

IUPAC name

2-{[(2E)-2-[(furan-2-yl)methylidene]-3-oxo-23-dihydro-1-benzofuran-6-yl]oxy}acetic acid

SMILES

OC(COc(cc1)cc(O/C2=C/c3ccco3)c1C2=O)=O

InChI

InChI=1S/C15H10O6/c16-14(17)8-20-10-3-4-11-12(6-10)21-13(15(11)18)7-9-2-1-5-19-9/h1-7H,8H2,(H,16,17)

InChI Key

CXMMRNHHOKPGNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11501568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.24

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.032

Distribution Coefficient, logD

-2.205

Water Solubility, LogSw

-2.79

Polar Surface Area

64.995

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.67

Y043-5847 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Fragments Library (11262 compounds)

Human Phosphatases Annotated Library (206 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y043-5847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5847?
Check Price and Availability of Y043-5847, 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 Y043-5847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5847
  • 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 Y043-5847 available by request