L414-1446 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(4-acetamidophenyl)propanamide

L414-1446 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(4-acetamidophenyl)propanamide
L414-1446 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(4-acetamidophenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-1446
2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(4-acetamidophenyl)propanamide

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

L414-1446

Molecular Formula

C22H21ClN4O3S (C22 H21 ClN4 O3 S)

Compound Name

2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(4-acetamidophenyl)propanamide

IUPAC name

2-{[1-(3-chloro-4-methylphenyl)-6-oxo-16-dihydropyridazin-3-yl]sulfanyl}-N-(4-acetamidophenyl)propanamide

SMILES

CC(C(Nc(cc1)ccc1NC(C)=O)=O)SC(C=C1)=NN(c2cc(Cl)c(C)cc2)C1=O

InChI

InChI=1S/C22H21ClN4O3S/c1-13-4-9-18(12-19(13)23)27-21(29)11-10-20(26-27)31-14(2)22(30)25-17-7-5-16(6-8-17)24-15(3)28/h4-12,14H,1-3H3,(H,24,28)(H,25,30)/t14-/m0/s1

InChI Key

DZJFNVDOAAAJNH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15126617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.967

Distribution Coefficient, logD

3.967

Water Solubility, LogSw

-4.32

Polar Surface Area

74.173

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with L414-1446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-1446?
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What is the minimum amount of L414-1446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-1446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-1446
  • 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 L414-1446 available by request