L414-1549 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[(3-fluorophenyl)methyl]propanamide

L414-1549 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[(3-fluorophenyl)methyl]propanamide
L414-1549 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[(3-fluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-1549
2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[(3-fluorophenyl)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

L414-1549

Molecular Formula

C21H19ClFN3O2S (C21 H19 ClFN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCc1cc(F)ccc1)=O)SC(C=C1)=NN(c2cc(Cl)c(C)cc2)C1=O

InChI

InChI=1S/C21H19ClFN3O2S/c1-13-6-7-17(11-18(13)22)26-20(27)9-8-19(25-26)29-14(2)21(28)24-12-15-4-3-5-16(23)10-15/h3-11,14H,12H2,1-2H3,(H,24,28)/t14-/m0/s1

InChI Key

AADKHZLEYTWUDW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15126634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.92

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

4.448

Distribution Coefficient, logD

4.448

Water Solubility, LogSw

-4.53

Polar Surface Area

52.233

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with L414-1549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-1549?
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What is the minimum amount of L414-1549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-1549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-1549
  • 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 L414-1549 available by request