Y040-8779 Screening compound: 3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

Y040-8779 Screening compound: 3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione
Y040-8779 Screening compound: 3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8779
3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3,4-tetrahydroquinazoline-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

Y040-8779

Molecular Formula

C22H24N4O4 (C22 H24 N4 O4)

Compound Name

3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl}-1234-tetrahydroquinazoline-24-dione

SMILES

COc(cc1)ccc1N(CC1)CCN1C(CCN(C(c(cccc1)c1N1)=O)C1=O)=O

InChI

InChI=1S/C22H24N4O4/c1-30-17-8-6-16(7-9-17)24-12-14-25(15-13-24)20(27)10-11-26-21(28)18-4-2-3-5-19(18)23-22(26)29/h2-9H,10-15H2,1H3,(H,23,29)

InChI Key

FWGGWGRUHXIBHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08749335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.421

Distribution Coefficient, logD

2.419

Water Solubility, LogSw

-3.04

Polar Surface Area

67.655

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

7.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with Y040-8779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8779?
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What is the minimum amount of Y040-8779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8779
  • 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 Y040-8779 available by request