5408-4072 Screening compound: 2-[(4E)-4-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide

5408-4072 Screening compound: 2-[(4E)-4-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
5408-4072 Screening compound: 2-[(4E)-4-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-4072
2-[(4E)-4-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide

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

5408-4072

Molecular Formula

C28H23FN4O3 (C28 H23 FN4 O3)

Compound Name

2-[(4E)-4-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide

IUPAC name

2-[(4E)-4-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-25-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide

SMILES

Cc(cc1)ccc1NC(CN(C(/C(/N1)=C\c2cn(Cc(cccc3)c3F)c3c2cccc3)=O)C1=O)=O

InChI

InChI=1S/C28H23FN4O3/c1-18-10-12-21(13-11-18)30-26(34)17-33-27(35)24(31-28(33)36)14-20-16-32(25-9-5-3-7-22(20)25)15-19-6-2-4-8-23(19)29/h2-14,16H,15,17H2,1H3,(H,30,34)(H,31,36)

InChI Key

XPKBDINTBWWIAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03697081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.074

Distribution Coefficient, logD

5.073

Water Solubility, LogSw

-4.76

Polar Surface Area

65.552

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.70

5408-4072 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5408-4072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-4072?
Check Price and Availability of 5408-4072, 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 5408-4072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-4072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-4072
  • 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 5408-4072 available by request