4057-0015 Screening compound: (2Z)-2-[(5-methylfuran-2-yl)methylidene]-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid

4057-0015 Screening compound: (2Z)-2-[(5-methylfuran-2-yl)methylidene]-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid
4057-0015 Screening compound: (2Z)-2-[(5-methylfuran-2-yl)methylidene]-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4057-0015
(2Z)-2-[(5-methylfuran-2-yl)methylidene]-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic 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

4057-0015

Molecular Formula

C16H10O5 (C16 H10 O5)

Compound Name

(2Z)-2-[(5-methylfuran-2-yl)methylidene]-1,3-dioxo-2,3-dihydro-1H-indene-5-carboxylic acid

IUPAC name

(2Z)-2-[(5-methylfuran-2-yl)methylidene]-13-dioxo-23-dihydro-1H-indene-5-carboxylic acid

SMILES

Cc1ccc(/C=C(/C(c(cc2)c3cc2C(O)=O)=O)\C3=O)o1

InChI

InChI=1S/C16H10O5/c1-8-2-4-10(21-8)7-13-14(17)11-5-3-9(16(19)20)6-12(11)15(13)18/h2-7H,1H3,(H,19,20)

InChI Key

HFBPGPCQLGTIFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.304

Distribution Coefficient, logD

-0.981

Water Solubility, LogSw

-3.27

Polar Surface Area

62.217

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4057-0015 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4057-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4057-0015?
Check Price and Availability of 4057-0015, 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 4057-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4057-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4057-0015
  • 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 4057-0015 available by request