Y041-4949 Screening compound: 2-{3-[4-(methylsulfanyl)phenyl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(5-phenylpentan-2-yl)acetamide

Y041-4949 Screening compound: 2-{3-[4-(methylsulfanyl)phenyl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(5-phenylpentan-2-yl)acetamide
Y041-4949 Screening compound: 2-{3-[4-(methylsulfanyl)phenyl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(5-phenylpentan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4949
2-{3-[4-(methylsulfanyl)phenyl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(5-phenylpentan-2-yl)acetamide

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

Y041-4949

Molecular Formula

C24H27N3O2S (C24 H27 N3 O2 S)

Compound Name

2-{3-[4-(methylsulfanyl)phenyl]-6-oxo-1,6-dihydropyridazin-1-yl}-N-(5-phenylpentan-2-yl)acetamide

IUPAC name

2-{3-[4-(methylsulfanyl)phenyl]-6-oxo-16-dihydropyridazin-1-yl}-N-(5-phenylpentan-2-yl)acetamide

SMILES

CC(CCCc1ccccc1)NC(CN(C(C=C1)=O)N=C1c(cc1)ccc1SC)=O

InChI

InChI=1S/C24H27N3O2S/c1-18(7-6-10-19-8-4-3-5-9-19)25-23(28)17-27-24(29)16-15-22(26-27)20-11-13-21(30-2)14-12-20/h3-5,8-9,11-16,18H,6-7,10,17H2,1-2H3,(H,25,28)/t18-/m0/s1

InChI Key

ULEGYBULBLCVBP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27961199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.151

Distribution Coefficient, logD

5.151

Water Solubility, LogSw

-5.05

Polar Surface Area

52.460

Acid Dissociation Constant (pKa)

15.74

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.17

References: we are preparing a list of scientific research reports with Y041-4949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4949?
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What is the minimum amount of Y041-4949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4949
  • 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 Y041-4949 available by request