L414-1428 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]propanamide

L414-1428 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]propanamide
L414-1428 Screening compound: 2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L414-1428
2-{[1-(3-chloro-4-methylphenyl)-6-oxo-1,6-dihydropyridazin-3-yl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]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

L414-1428

Molecular Formula

C22H26ClN3O2S (C22 H26 ClN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(NCCC1=CCCCC1)=O)SC(C=C1)=NN(c2cc(Cl)c(C)cc2)C1=O

InChI

InChI=1S/C22H26ClN3O2S/c1-15-8-9-18(14-19(15)23)26-21(27)11-10-20(25-26)29-16(2)22(28)24-13-12-17-6-4-3-5-7-17/h6,8-11,14,16H,3-5,7,12-13H2,1-2H3,(H,24,28)/t16-/m0/s1

InChI Key

CBOKZLWMIAULDR-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15126613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.99

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

4.828

Distribution Coefficient, logD

4.828

Water Solubility, LogSw

-4.90

Polar Surface Area

52.266

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

L414-1428 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L414-1428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L414-1428?
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What is the minimum amount of L414-1428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L414-1428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L414-1428
  • 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 L414-1428 available by request