Y043-4043 Screening compound: 3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-oxoethyl}-6-fluoro-2-methyl-4(3H)-quinazolinone

Y043-4043 Screening compound: 3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-oxoethyl}-6-fluoro-2-methyl-4(3H)-quinazolinone
Y043-4043 Screening compound: 3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-oxoethyl}-6-fluoro-2-methyl-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4043
3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-oxoethyl}-6-fluoro-2-methyl-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

Y043-4043

Molecular Formula

C23H23FN4O4 (C23 H23 FN4 O4)

Compound Name

3-{2-[4-(1,3-benzodioxol-5-ylmethyl)piperazino]-2-oxoethyl}-6-fluoro-2-methyl-4(3H)-quinazolinone

IUPAC name

3-(2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-6-fluoro-2-methyl-34-dihydroquinazolin-4-one

SMILES

CC(N1CC(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)=Nc(ccc(F)c2)c2C1=O

InChI

InChI=1S/C23H23FN4O4/c1-15-25-19-4-3-17(24)11-18(19)23(30)28(15)13-22(29)27-8-6-26(7-9-27)12-16-2-5-20-21(10-16)32-14-31-20/h2-5,10-11H,6-9,12-14H2,1H3

InChI Key

JPIYAAAABWQLCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28027568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.693

Distribution Coefficient, logD

1.501

Water Solubility, LogSw

-2.48

Polar Surface Area

61.434

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

References: we are preparing a list of scientific research reports with Y043-4043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4043?
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What is the minimum amount of Y043-4043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4043
  • 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 Y043-4043 available by request