Y042-7089 Screening compound: 3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-6-nitro-4(3H)-quinazolinone

Y042-7089 Screening compound: 3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-6-nitro-4(3H)-quinazolinone
Y042-7089 Screening compound: 3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-6-nitro-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-7089
3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-6-nitro-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

Y042-7089

Molecular Formula

C21H19ClN4O5 (C21 H19 ClN4 O5)

Compound Name

3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-6-nitro-4(3H)-quinazolinone

IUPAC name

3-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-nitro-34-dihydroquinazolin-4-one

SMILES

[O-][N+](c(cc1)cc2c1N=CN(CC(N(CC1)CCC1(c(cc1)ccc1Cl)O)=O)C2=O)=O

InChI

InChI=1S/C21H19ClN4O5/c22-15-3-1-14(2-4-15)21(29)7-9-24(10-8-21)19(27)12-25-13-23-18-6-5-16(26(30)31)11-17(18)20(25)28/h1-6,11,13,29H,7-10,12H2

InChI Key

WPWCMDVTUWSSIU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.86

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.612

Distribution Coefficient, logD

1.612

Water Solubility, LogSw

-2.79

Polar Surface Area

90.947

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with Y042-7089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-7089?
Check Price and Availability of Y042-7089, 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 Y042-7089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-7089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-7089
  • 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 Y042-7089 available by request