Y041-4986 Screening compound: methyl 2-{2-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}-3-phenylpropanoate

Y041-4986 Screening compound: methyl 2-{2-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}-3-phenylpropanoate
Y041-4986 Screening compound: methyl 2-{2-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4986
methyl 2-{2-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}-3-phenylpropanoate

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

Y041-4986

Molecular Formula

C23H23N3O5 (C23 H23 N3 O5)

Compound Name

methyl 2-{2-[3-(4-methoxyphenyl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}-3-phenylpropanoate

IUPAC name

methyl (2S)-2-{2-[3-(4-methoxyphenyl)-6-oxo-16-dihydropyridazin-1-yl]acetamido}-3-phenylpropanoate

SMILES

COC(C(Cc1ccccc1)NC(CN(C(C=C1)=O)N=C1c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C23H23N3O5/c1-30-18-10-8-17(9-11-18)19-12-13-22(28)26(25-19)15-21(27)24-20(23(29)31-2)14-16-6-4-3-5-7-16/h3-13,20H,14-15H2,1-2H3,(H,24,27)/t20-/m0/s1

InChI Key

HVQJLUGXPQFYTM-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.364

Distribution Coefficient, logD

2.364

Water Solubility, LogSw

-2.71

Polar Surface Area

81.367

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with Y041-4986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4986?
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What is the minimum amount of Y041-4986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4986
  • 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 Y041-4986 available by request