Y041-0298 Screening compound: 2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-(furan-2-yl)-2,3-dihydropyridazin-3-one

Y041-0298 Screening compound: 2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-(furan-2-yl)-2,3-dihydropyridazin-3-one
Y041-0298 Screening compound: 2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-(furan-2-yl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0298
2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-(furan-2-yl)-2,3-dihydropyridazin-3-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

Y041-0298

Molecular Formula

C21H20ClN3O4 (C21 H20 ClN3 O4)

Compound Name

2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-(furan-2-yl)-2,3-dihydropyridazin-3-one

IUPAC name

2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-(furan-2-yl)-23-dihydropyridazin-3-one

SMILES

OC(CC1)(CCN1C(CN(C(C=C1)=O)N=C1c1ccco1)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C21H20ClN3O4/c22-16-5-3-15(4-6-16)21(28)9-11-24(12-10-21)20(27)14-25-19(26)8-7-17(23-25)18-2-1-13-29-18/h1-8,13,28H,9-12,14H2

InChI Key

GMNJZYSBMVOLLR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18798204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.841

Distribution Coefficient, logD

1.841

Water Solubility, LogSw

-2.55

Polar Surface Area

68.352

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Y041-0298 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y041-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0298?
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What is the minimum amount of Y041-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0298
  • 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 Y041-0298 available by request