Y040-9287F Screening compound: 2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-6-(3-methoxyphenyl)-3(2H)-pyridazinone

Y040-9287F Screening compound: 2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-6-(3-methoxyphenyl)-3(2H)-pyridazinone
Y040-9287F Screening compound: 2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-6-(3-methoxyphenyl)-3(2H)-pyridazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9287F
2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-6-(3-methoxyphenyl)-3(2H)-pyridazinone

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

Y040-9287F

Molecular Formula

C24H24ClN3O4 (C24 H24 ClN3 O4)

Compound Name

2-{2-[4-(4-chlorophenyl)-4-hydroxypiperidino]-2-oxoethyl}-6-(3-methoxyphenyl)-3(2H)-pyridazinone

IUPAC name

n/a

SMILES

COc1cccc(C(C=C2)=NN(CC(N(CC3)CCC3(c(cc3)ccc3Cl)O)=O)C2=O)c1

InChI

InChI=1S/C24H24ClN3O4/c1-32-20-4-2-3-17(15-20)21-9-10-22(29)28(26-21)16-23(30)27-13-11-24(31,12-14-27)18-5-7-19(25)8-6-18/h2-10,15,31H,11-14,16H2,1H3

InChI Key

WTLHLKOEZGRDFF-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.766

Distribution Coefficient, logD

2.766

Water Solubility, LogSw

-3.32

Polar Surface Area

67.318

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

-0.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with Y040-9287F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9287F?
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What is the minimum amount of Y040-9287F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9287F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9287F
  • 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 Y040-9287F available by request