Y042-1779 Screening compound: 2-[(4S)-2,5-dioxo-1-phenethyltetrahydro-1H-imidazol-4-yl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

Y042-1779 Screening compound: 2-[(4S)-2,5-dioxo-1-phenethyltetrahydro-1H-imidazol-4-yl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide
Y042-1779 Screening compound: 2-[(4S)-2,5-dioxo-1-phenethyltetrahydro-1H-imidazol-4-yl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-1779
2-[(4S)-2,5-dioxo-1-phenethyltetrahydro-1H-imidazol-4-yl]-N-[2-(1H-pyrazol-1-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

Y042-1779

Molecular Formula

C18H21N5O3 (C18 H21 N5 O3)

Compound Name

2-[(4S)-2,5-dioxo-1-phenethyltetrahydro-1H-imidazol-4-yl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

IUPAC name

2-[(4S)-25-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

SMILES

O=C(CC(C(N1CCc2ccccc2)=O)NC1=O)NCCn1nccc1

InChI

InChI=1S/C18H21N5O3/c24-16(19-9-12-22-10-4-8-20-22)13-15-17(25)23(18(26)21-15)11-7-14-5-2-1-3-6-14/h1-6,8,10,15H,7,9,11-13H2,(H,19,24)(H,21,26)/t15-/m1/s1

InChI Key

QGHYHDVVPWHTQT-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.039

Distribution Coefficient, logD

-0.039

Water Solubility, LogSw

-1.57

Polar Surface Area

80.729

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y042-1779 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-1779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-1779?
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What is the minimum amount of Y042-1779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-1779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-1779
  • 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 Y042-1779 available by request