Y020-0805 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one

Y020-0805 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one
Y020-0805 Screening compound: 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0805
2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one

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

Y020-0805

Molecular Formula

C25H26N4O4 (C25 H26 N4 O4)

Compound Name

2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-7-(furan-2-yl)-4-methyl-5678-tetrahydroquinazolin-5-one

SMILES

Cc1nc(N2CCN(Cc(cc3)cc4c3OCO4)CC2)nc(CC(C2)c3ccco3)c1C2=O

InChI

InChI=1S/C25H26N4O4/c1-16-24-19(12-18(13-20(24)30)21-3-2-10-31-21)27-25(26-16)29-8-6-28(7-9-29)14-17-4-5-22-23(11-17)33-15-32-22/h2-5,10-11,18H,6-9,12-15H2,1H3/t18-/m1/s1

InChI Key

QALULPBPXAQUPC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD06597970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-4.15

Polar Surface Area

65.398

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

Y020-0805 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y020-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0805?
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What is the minimum amount of Y020-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0805
  • 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 Y020-0805 available by request