8008-4749 Screening compound: 1-[(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)methyl]-4-methyl-3-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

8008-4749 Screening compound: 1-[(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)methyl]-4-methyl-3-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione
8008-4749 Screening compound: 1-[(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)methyl]-4-methyl-3-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4749
1-[(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)methyl]-4-methyl-3-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

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

8008-4749

Molecular Formula

C20H22N4OS (C20 H22 N4 OS)

Compound Name

1-[(6-methoxy-1,2,3,4-tetrahydroquinolin-1-yl)methyl]-4-methyl-3-phenyl-4,5-dihydro-1H-1,2,4-triazole-5-thione

IUPAC name

1-[(6-methoxy-1234-tetrahydroquinolin-1-yl)methyl]-4-methyl-3-phenyl-45-dihydro-1H-124-triazole-5-thione

SMILES

CN(C(c1ccccc1)=NN1CN(CCC2)c(cc3)c2cc3OC)C1=S

InChI

InChI=1S/C20H22N4OS/c1-22-19(15-7-4-3-5-8-15)21-24(20(22)26)14-23-12-6-9-16-13-17(25-2)10-11-18(16)23/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3

InChI Key

OIADBMXOYZFJEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

3.828

Water Solubility, LogSw

-4.08

Polar Surface Area

30.676

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8008-4749 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8008-4749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4749?
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What is the minimum amount of 8008-4749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4749
  • 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 8008-4749 available by request