L414-1368 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(4-ethoxyphenyl)propanamide

L414-1368 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(4-ethoxyphenyl)propanamide
L414-1368 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(4-ethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-1368
2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(4-ethoxyphenyl)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

L414-1368

Molecular Formula

C22H22ClN3O3S (C22 H22 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H22ClN3O3S/c1-4-29-18-9-6-16(7-10-18)24-22(28)15(3)30-20-11-12-21(27)26(25-20)17-8-5-14(2)19(23)13-17/h5-13,15H,4H2,1-3H3,(H,24,28)/t15-/m0/s1

InChI Key

MAMGJNUVCUNORK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15126593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.95

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.135

Distribution Coefficient, logD

5.135

Water Solubility, LogSw

-5.60

Polar Surface Area

58.034

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with L414-1368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-1368?
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What is the minimum amount of L414-1368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-1368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-1368
  • 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 L414-1368 available by request