L414-0834 Screening compound: N-(4-chlorophenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamide

L414-0834 Screening compound: N-(4-chlorophenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamide
L414-0834 Screening compound: N-(4-chlorophenyl)-2-{[1-(3,4-dimethylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-0834
N-(4-chlorophenyl)-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

L414-0834

Molecular Formula

C21H20ClN3O2S (C21 H20 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc(cc1)ccc1Cl)=O)SC(C=C1)=NN(c2cc(C)c(C)cc2)C1=O

InChI

InChI=1S/C21H20ClN3O2S/c1-13-4-9-18(12-14(13)2)25-20(26)11-10-19(24-25)28-15(3)21(27)23-17-7-5-16(22)6-8-17/h4-12,15H,1-3H3,(H,23,27)/t15-/m0/s1

InChI Key

CLQJYYLPXQHQAR-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15126537

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

5.239

Distribution Coefficient, logD

5.238

Water Solubility, LogSw

-5.68

Polar Surface Area

50.911

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with L414-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-0834?
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What is the minimum amount of L414-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-0834
  • 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 L414-0834 available by request