L414-1444 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(2,5-diethoxyphenyl)propanamide

L414-1444 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(2,5-diethoxyphenyl)propanamide
L414-1444 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(2,5-diethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-1444
2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(2,5-diethoxyphenyl)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

L414-1444

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-(2,5-diethoxyphenyl)propanamide

IUPAC name

2-{[1-(3-chloro-4-methylphenyl)-6-oxo-16-dihydropyridazin-3-yl]sulfanyl}-N-(25-diethoxyphenyl)propanamide

SMILES

CCOc(cc1)cc(NC(C(C)SC(C=C2)=NN(c3cc(Cl)c(C)cc3)C2=O)=O)c1OCC

InChI

InChI=1S/C24H26ClN3O4S/c1-5-31-18-9-10-21(32-6-2)20(14-18)26-24(30)16(4)33-22-11-12-23(29)28(27-22)17-8-7-15(3)19(25)13-17/h7-14,16H,5-6H2,1-4H3,(H,26,30)/t16-/m0/s1

InChI Key

JTTKEYSLSQCLRN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15126616

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

5.557

Distribution Coefficient, logD

5.557

Water Solubility, LogSw

-5.95

Polar Surface Area

64.547

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

L414-1444 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 L414-1444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-1444?
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What is the minimum amount of L414-1444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-1444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-1444
  • 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 L414-1444 available by request