L414-1538 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-{[4-(dimethylamino)phenyl]methyl}propanamide

L414-1538 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-{[4-(dimethylamino)phenyl]methyl}propanamide
L414-1538 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-{[4-(dimethylamino)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-1538
2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-{[4-(dimethylamino)phenyl]methyl}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

L414-1538

Molecular Formula

C23H25ClN4O2S (C23 H25 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCc(cc1)ccc1N(C)C)=O)SC(C=C1)=NN(c2cc(Cl)c(C)cc2)C1=O

InChI

InChI=1S/C23H25ClN4O2S/c1-15-5-8-19(13-20(15)24)28-22(29)12-11-21(26-28)31-16(2)23(30)25-14-17-6-9-18(10-7-17)27(3)4/h5-13,16H,14H2,1-4H3,(H,25,30)/t16-/m0/s1

InChI Key

YRNUOEIVLGKRBY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15126630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.374

Distribution Coefficient, logD

4.358

Water Solubility, LogSw

-4.51

Polar Surface Area

55.037

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with L414-1538 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-1538?
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What is the minimum amount of L414-1538 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-1538
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-1538
  • 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 L414-1538 available by request