5408-3645 Screening compound: 2-(3-{[(4E)-2,5-dioxo-1-phenylimidazolidin-4-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide

5408-3645 Screening compound: 2-(3-{[(4E)-2,5-dioxo-1-phenylimidazolidin-4-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide
5408-3645 Screening compound: 2-(3-{[(4E)-2,5-dioxo-1-phenylimidazolidin-4-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5408-3645
2-(3-{[(4E)-2,5-dioxo-1-phenylimidazolidin-4-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide

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

5408-3645

Molecular Formula

C26H20N4O3 (C26 H20 N4 O3)

Compound Name

2-(3-{[(4E)-2,5-dioxo-1-phenylimidazolidin-4-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide

IUPAC name

2-(3-{[(4E)-25-dioxo-1-phenylimidazolidin-4-ylidene]methyl}-1H-indol-1-yl)-N-phenylacetamide

SMILES

O=C(Cn1c(cccc2)c2c(/C=C(\C(N2c3ccccc3)=O)/NC2=O)c1)Nc1ccccc1

InChI

InChI=1S/C26H20N4O3/c31-24(27-19-9-3-1-4-10-19)17-29-16-18(21-13-7-8-14-23(21)29)15-22-25(32)30(26(33)28-22)20-11-5-2-6-12-20/h1-16H,17H2,(H,27,31)(H,28,33)

InChI Key

XUSFAYMOYPETLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.819

Distribution Coefficient, logD

3.818

Water Solubility, LogSw

-4.08

Polar Surface Area

64.940

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

5408-3645 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5408-3645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5408-3645?
Check Price and Availability of 5408-3645, 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 5408-3645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5408-3645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5408-3645
  • 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 5408-3645 available by request