L414-1532 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide

L414-1532 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide
L414-1532 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[(4-ethoxy-3-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-1532
2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[(4-ethoxy-3-methoxyphenyl)methyl]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

L414-1532

Molecular Formula

C24H26ClN3O4S (C24 H26 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CNC(C(C)SC(C=C1)=NN(c2cc(Cl)c(C)cc2)C1=O)=O)c1)c1OC

InChI

InChI=1S/C24H26ClN3O4S/c1-5-32-20-9-7-17(12-21(20)31-4)14-26-24(30)16(3)33-22-10-11-23(29)28(27-22)18-8-6-15(2)19(25)13-18/h6-13,16H,5,14H2,1-4H3,(H,26,30)/t16-/m0/s1

InChI Key

PBEHZTRAJCKHBL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15126626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.244

Distribution Coefficient, logD

4.244

Water Solubility, LogSw

-4.55

Polar Surface Area

67.073

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

L414-1532 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L414-1532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-1532?
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What is the minimum amount of L414-1532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-1532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-1532
  • 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 L414-1532 available by request