L414-2159 Screening compound: N-(3-chloro-2-methylphenyl)-2-({6-oxo-1-[4-(propan-2-yl)phenyl]-1,6-dihydropyridazin-3-yl}sulfanyl)acetamide

L414-2159 Screening compound: N-(3-chloro-2-methylphenyl)-2-({6-oxo-1-[4-(propan-2-yl)phenyl]-1,6-dihydropyridazin-3-yl}sulfanyl)acetamide
L414-2159 Screening compound: N-(3-chloro-2-methylphenyl)-2-({6-oxo-1-[4-(propan-2-yl)phenyl]-1,6-dihydropyridazin-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-2159
N-(3-chloro-2-methylphenyl)-2-({6-oxo-1-[4-(propan-2-yl)phenyl]-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

L414-2159

Molecular Formula

C22H22ClN3O2S (C22 H22 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1N(C(C=C1)=O)N=C1SCC(Nc1cccc(Cl)c1C)=O

InChI

InChI=1S/C22H22ClN3O2S/c1-14(2)16-7-9-17(10-8-16)26-22(28)12-11-21(25-26)29-13-20(27)24-19-6-4-5-18(23)15(19)3/h4-12,14H,13H2,1-3H3,(H,24,27)

InChI Key

PTLFQJITOGHTBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15126764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.191

Distribution Coefficient, logD

5.191

Water Solubility, LogSw

-5.68

Polar Surface Area

49.999

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

L414-2159 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L414-2159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-2159?
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What is the minimum amount of L414-2159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-2159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-2159
  • 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 L414-2159 available by request