Y041-7981 Screening compound: 2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(1H-imidazol-4-yl)ethyl]acetamide

Y041-7981 Screening compound: 2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(1H-imidazol-4-yl)ethyl]acetamide
Y041-7981 Screening compound: 2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(1H-imidazol-4-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-7981
2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(1H-imidazol-4-yl)ethyl]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

Y041-7981

Molecular Formula

C17H19N5O3 (C17 H19 N5 O3)

Compound Name

2-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(1H-imidazol-4-yl)ethyl]acetamide

IUPAC name

2-[(4S)-1-benzyl-25-dioxoimidazolidin-4-yl]-N-[2-(1H-imidazol-4-yl)ethyl]acetamide

SMILES

O=C(CC(C(N1Cc2ccccc2)=O)NC1=O)NCCc1c[nH]cn1

InChI

InChI=1S/C17H19N5O3/c23-15(19-7-6-13-9-18-11-20-13)8-14-16(24)22(17(25)21-14)10-12-4-2-1-3-5-12/h1-5,9,11,14H,6-8,10H2,(H,18,20)(H,19,23)(H,21,25)/t14-/m1/s1

InChI Key

IMJMPRBCXDFGBE-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.066

Distribution Coefficient, logD

-0.164

Water Solubility, LogSw

-1.80

Polar Surface Area

87.771

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.41

Y041-7981 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y041-7981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-7981?
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What is the minimum amount of Y041-7981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-7981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-7981
  • 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 Y041-7981 available by request