Y040-6511 Screening compound: 2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-(3,4-dimethoxyphenyl)-2,3-dihydropyridazin-3-one

Y040-6511 Screening compound: 2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-(3,4-dimethoxyphenyl)-2,3-dihydropyridazin-3-one
Y040-6511 Screening compound: 2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-(3,4-dimethoxyphenyl)-2,3-dihydropyridazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6511
2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-(3,4-dimethoxyphenyl)-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

Y040-6511

Molecular Formula

C25H26ClN3O5 (C25 H26 ClN3 O5)

Compound Name

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

IUPAC name

2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-oxoethyl}-6-(34-dimethoxyphenyl)-23-dihydropyridazin-3-one

SMILES

COc(ccc(C(C=C1)=NN(CC(N(CC2)CCC2(c(cc2)ccc2Cl)O)=O)C1=O)c1)c1OC

InChI

InChI=1S/C25H26ClN3O5/c1-33-21-9-3-17(15-22(21)34-2)20-8-10-23(30)29(27-20)16-24(31)28-13-11-25(32,12-14-28)18-4-6-19(26)7-5-18/h3-10,15,32H,11-14,16H2,1-2H3

InChI Key

QUXDTLCCYQKOTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20503745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.328

Distribution Coefficient, logD

2.328

Water Solubility, LogSw

-3.05

Polar Surface Area

75.035

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

Y040-6511 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-6511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6511?
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What is the minimum amount of Y040-6511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6511
  • 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 Y040-6511 available by request