Y041-8080 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-{1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetamide

Y041-8080 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-{1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetamide
Y041-8080 Screening compound: N-[2-(1H-indol-3-yl)ethyl]-2-{1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8080
N-[2-(1H-indol-3-yl)ethyl]-2-{1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl}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

Y041-8080

Molecular Formula

C23H24N4O4 (C23 H24 N4 O4)

Compound Name

N-[2-(1H-indol-3-yl)ethyl]-2-{1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl}acetamide

IUPAC name

N-[2-(1H-indol-3-yl)ethyl]-2-[(4S)-1-[(4-methoxyphenyl)methyl]-25-dioxoimidazolidin-4-yl]acetamide

SMILES

COc1ccc(CN(C(C(CC(NCCc2c[nH]c3c2cccc3)=O)N2)=O)C2=O)cc1

InChI

InChI=1S/C23H24N4O4/c1-31-17-8-6-15(7-9-17)14-27-22(29)20(26-23(27)30)12-21(28)24-11-10-16-13-25-19-5-3-2-4-18(16)19/h2-9,13,20,25H,10-12,14H2,1H3,(H,24,28)(H,26,30)/t20-/m1/s1

InChI Key

IXWHPGXLFSFCGY-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.957

Distribution Coefficient, logD

1.957

Water Solubility, LogSw

-2.54

Polar Surface Area

83.392

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.09

Y041-8080 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with Y041-8080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8080?
Check Price and Availability of Y041-8080, 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 Y041-8080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8080
  • 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 Y041-8080 available by request