Y042-2648 Screening compound: 5-(2-oxo-2-{4-[(pyridin-3-yl)methyl]piperazin-1-yl}ethyl)-3-(3,4,5-trifluorophenyl)imidazolidine-2,4-dione

Y042-2648 Screening compound: 5-(2-oxo-2-{4-[(pyridin-3-yl)methyl]piperazin-1-yl}ethyl)-3-(3,4,5-trifluorophenyl)imidazolidine-2,4-dione
Y042-2648 Screening compound: 5-(2-oxo-2-{4-[(pyridin-3-yl)methyl]piperazin-1-yl}ethyl)-3-(3,4,5-trifluorophenyl)imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-2648
5-(2-oxo-2-{4-[(pyridin-3-yl)methyl]piperazin-1-yl}ethyl)-3-(3,4,5-trifluorophenyl)imidazolidine-2,4-dione

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

Y042-2648

Molecular Formula

C21H20F3N5O3 (C21 H20 F3 N5 O3)

Compound Name

5-(2-oxo-2-{4-[(pyridin-3-yl)methyl]piperazin-1-yl}ethyl)-3-(3,4,5-trifluorophenyl)imidazolidine-2,4-dione

IUPAC name

5-(2-oxo-2-{4-[(pyridin-3-yl)methyl]piperazin-1-yl}ethyl)-3-(345-trifluorophenyl)imidazolidine-24-dione

SMILES

O=C(CC(C(N1c(cc2F)cc(F)c2F)=O)NC1=O)N1CCN(Cc2cnccc2)CC1

InChI

InChI=1S/C21H20F3N5O3/c22-15-8-14(9-16(23)19(15)24)29-20(31)17(26-21(29)32)10-18(30)28-6-4-27(5-7-28)12-13-2-1-3-25-11-13/h1-3,8-9,11,17H,4-7,10,12H2,(H,26,32)/t17-/m1/s1

InChI Key

XQPQSXFKRYJJET-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD30836054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.369

Distribution Coefficient, logD

0.359

Water Solubility, LogSw

-1.27

Polar Surface Area

70.504

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y042-2648 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 Y042-2648 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-2648?
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What is the minimum amount of Y042-2648 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-2648
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-2648
  • 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 Y042-2648 available by request