Y043-5436 Screening compound: 2-{4-[4-(methylsulfonyl)piperazino]-4-oxobutyl}-4(3H)-quinazolinone

Y043-5436 Screening compound: 2-{4-[4-(methylsulfonyl)piperazino]-4-oxobutyl}-4(3H)-quinazolinone
Y043-5436 Screening compound: 2-{4-[4-(methylsulfonyl)piperazino]-4-oxobutyl}-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-5436
2-{4-[4-(methylsulfonyl)piperazino]-4-oxobutyl}-4(3H)-quinazolinone

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

Y043-5436

Molecular Formula

C17H22N4O4S (C17 H22 N4 O4 S)

Compound Name

2-{4-[4-(methylsulfonyl)piperazino]-4-oxobutyl}-4(3H)-quinazolinone

IUPAC name

2-[4-(4-methanesulfonylpiperazin-1-yl)-4-oxobutyl]-34-dihydroquinazolin-4-one

SMILES

CS(N(CC1)CCN1C(CCCC(N1)=Nc(cccc2)c2C1=O)=O)(=O)=O

InChI

InChI=1S/C17H22N4O4S/c1-26(24,25)21-11-9-20(10-12-21)16(22)8-4-7-15-18-14-6-3-2-5-13(14)17(23)19-15/h2-3,5-6H,4,7-12H2,1H3,(H,18,19,23)

InChI Key

JJKKZSLOSPCFFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29057180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.289

Distribution Coefficient, logD

-0.292

Water Solubility, LogSw

-2.28

Polar Surface Area

82.576

Acid Dissociation Constant (pKa)

9.58

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

Y043-5436 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 Y043-5436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-5436?
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What is the minimum amount of Y043-5436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-5436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-5436
  • 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 Y043-5436 available by request