L414-0619 Screening compound: N-(2-chloro-4-methylphenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}acetamide

L414-0619 Screening compound: N-(2-chloro-4-methylphenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}acetamide
L414-0619 Screening compound: N-(2-chloro-4-methylphenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-0619
N-(2-chloro-4-methylphenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}acetamide

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

L414-0619

Molecular Formula

C21H20ClN3O2S (C21 H20 ClN3 O2 S)

Compound Name

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

IUPAC name

N-(2-chloro-4-methylphenyl)-2-{[1-(34-dimethylphenyl)-6-oxo-16-dihydropyridazin-3-yl]sulfanyl}acetamide

SMILES

Cc(cc1)cc(Cl)c1NC(CSC(C=C1)=NN(c2cc(C)c(C)cc2)C1=O)=O

InChI

InChI=1S/C21H20ClN3O2S/c1-13-4-7-18(17(22)10-13)23-19(26)12-28-20-8-9-21(27)25(24-20)16-6-5-14(2)15(3)11-16/h4-11H,12H2,1-3H3,(H,23,26)

InChI Key

XZYBMJZMBYRFKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15126507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.907

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-4.91

Polar Surface Area

49.999

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L414-0619 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 L414-0619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-0619?
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What is the minimum amount of L414-0619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-0619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-0619
  • 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 L414-0619 available by request