L414-0846 Screening compound: N-(3,5-dimethoxyphenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamide

L414-0846 Screening compound: N-(3,5-dimethoxyphenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamide
L414-0846 Screening compound: N-(3,5-dimethoxyphenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-0846
N-(3,5-dimethoxyphenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}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

L414-0846

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

N-(3,5-dimethoxyphenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamide

IUPAC name

N-(35-dimethoxyphenyl)-2-{[1-(34-dimethylphenyl)-6-oxo-16-dihydropyridazin-3-yl]sulfanyl}propanamide

SMILES

CC(C(Nc1cc(OC)cc(OC)c1)=O)SC(C=C1)=NN(c2cc(C)c(C)cc2)C1=O

InChI

InChI=1S/C23H25N3O4S/c1-14-6-7-18(10-15(14)2)26-22(27)9-8-21(25-26)31-16(3)23(28)24-17-11-19(29-4)13-20(12-17)30-5/h6-13,16H,1-5H3,(H,24,28)/t16-/m0/s1

InChI Key

QZMKSYXUAYGMKO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15126541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.783

Distribution Coefficient, logD

4.783

Water Solubility, LogSw

-4.57

Polar Surface Area

65.998

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

L414-0846 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L414-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-0846?
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What is the minimum amount of L414-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-0846
  • 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 L414-0846 available by request