L414-0875 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamide

L414-0875 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamide
L414-0875 Screening compound: N-(3-chloro-2-methylphenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-0875
N-(3-chloro-2-methylphenyl)-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

L414-0875

Molecular Formula

C22H22ClN3O2S (C22 H22 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1cccc(Cl)c1C)=O)SC(C=C1)=NN(c2cc(C)c(C)cc2)C1=O

InChI

InChI=1S/C22H22ClN3O2S/c1-13-8-9-17(12-14(13)2)26-21(27)11-10-20(25-26)29-16(4)22(28)24-19-7-5-6-18(23)15(19)3/h5-12,16H,1-4H3,(H,24,28)/t16-/m0/s1

InChI Key

JJSMAPFJSXIKEN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15126550

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

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.750

Distribution Coefficient, logD

5.749

Water Solubility, LogSw

-6.02

Polar Surface Area

50.213

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with L414-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-0875?
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What is the minimum amount of L414-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-0875
  • 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 L414-0875 available by request