Y041-5009 Screening compound: methyl 4-(methylsulfanyl)-2-{2-[3-(naphthalen-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}butanoate

Y041-5009 Screening compound: methyl 4-(methylsulfanyl)-2-{2-[3-(naphthalen-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}butanoate
Y041-5009 Screening compound: methyl 4-(methylsulfanyl)-2-{2-[3-(naphthalen-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-5009
methyl 4-(methylsulfanyl)-2-{2-[3-(naphthalen-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}butanoate

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

Y041-5009

Molecular Formula

C22H23N3O4S (C22 H23 N3 O4 S)

Compound Name

methyl 4-(methylsulfanyl)-2-{2-[3-(naphthalen-2-yl)-6-oxo-1,6-dihydropyridazin-1-yl]acetamido}butanoate

IUPAC name

methyl (2S)-4-(methylsulfanyl)-2-{2-[3-(naphthalen-2-yl)-6-oxo-16-dihydropyridazin-1-yl]acetamido}butanoate

SMILES

COC(C(CCSC)NC(CN(C(C=C1)=O)N=C1c1cc2ccccc2cc1)=O)=O

InChI

InChI=1S/C22H23N3O4S/c1-29-22(28)19(11-12-30-2)23-20(26)14-25-21(27)10-9-18(24-25)17-8-7-15-5-3-4-6-16(15)13-17/h3-10,13,19H,11-12,14H2,1-2H3,(H,23,26)/t19-/m0/s1

InChI Key

AXSAFDITBFKDKZ-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.706

Distribution Coefficient, logD

2.706

Water Solubility, LogSw

-3.40

Polar Surface Area

73.823

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with Y041-5009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-5009?
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What is the minimum amount of Y041-5009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-5009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-5009
  • 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 Y041-5009 available by request