L414-1394 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(3-methylbutyl)propanamide

L414-1394 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(3-methylbutyl)propanamide
L414-1394 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(3-methylbutyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-1394
2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-(3-methylbutyl)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

L414-1394

Molecular Formula

C19H24ClN3O2S (C19 H24 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H24ClN3O2S/c1-12(2)9-10-21-19(25)14(4)26-17-7-8-18(24)23(22-17)15-6-5-13(3)16(20)11-15/h5-8,11-12,14H,9-10H2,1-4H3,(H,21,25)/t14-/m0/s1

InChI Key

YJLCGHRWFXVSAK-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD15126601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.550

Distribution Coefficient, logD

4.550

Water Solubility, LogSw

-4.55

Polar Surface Area

52.346

Acid Dissociation Constant (pKa)

14.29

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

L414-1394 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with L414-1394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-1394?
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What is the minimum amount of L414-1394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-1394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-1394
  • 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 L414-1394 available by request