Y040-8820 Screening compound: 2-(2-{2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetamido}acetamido)acetic acid

Y040-8820 Screening compound: 2-(2-{2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetamido}acetamido)acetic acid
Y040-8820 Screening compound: 2-(2-{2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetamido}acetamido)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8820
2-(2-{2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetamido}acetamido)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

Y040-8820

Molecular Formula

C24H23FN2O5S (C24 H23 FN2 O5 S)

Compound Name

2-(2-{2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetamido}acetamido)acetic acid

IUPAC name

2-(2-{2-[(1E)-5-fluoro-1-[(4-methanesulfinylphenyl)methylidene]-2-methyl-1H-inden-3-yl]acetamido}acetamido)acetic acid

SMILES

CC1=C(CC(NCC(NCC(O)=O)=O)=O)c(cc(cc2)F)c2/C1=C/c(cc1)ccc1S(C)=O

InChI

InChI=1S/C24H25FN2O5S/c1-14-19(9-15-3-6-17(7-4-15)33(2)32)18-8-5-16(25)10-21(18)20(14)11-22(28)26-12-23(29)27-13-24(30)31/h3-10H,11-13,33H2,1-2H3,(H,26,28)(H,27,29)(H,30,31)

InChI Key

XZOOBTXVAYPCPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08291279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.772

Distribution Coefficient, logD

-2.157

Water Solubility, LogSw

-2.67

Polar Surface Area

93.349

Acid Dissociation Constant (pKa)

3.47

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

Y040-8820 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with Y040-8820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8820?
Check Price and Availability of Y040-8820, 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 Y040-8820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8820
  • 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 Y040-8820 available by request