6143-0087 Screening compound: 4-[(E)-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol

6143-0087 Screening compound: 4-[(E)-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol
6143-0087 Screening compound: 4-[(E)-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6143-0087
4-[(E)-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol

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

6143-0087

Molecular Formula

C14H14F3N5S (C14 H14 F3 N5 S)

Compound Name

4-[(E)-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]amino]-5-(trifluoromethyl)-4H-1,2,4-triazole-3-thiol

IUPAC name

4-[(E)-[(1-methyl-1234-tetrahydroquinolin-6-yl)methylidene]amino]-5-(trifluoromethyl)-4H-124-triazole-3-thiol

SMILES

CN(CCC1)c2c1cc(/C=N/n1c(S)nnc1C(F)(F)F)cc2

InChI

InChI=1S/C14H14F3N5S/c1-21-6-2-3-10-7-9(4-5-11(10)21)8-18-22-12(14(15,16)17)19-20-13(22)23/h4-5,7-8H,2-3,6H2,1H3,(H,20,23)

InChI Key

NMRQPQQGVMBAJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.974

Distribution Coefficient, logD

1.228

Water Solubility, LogSw

-2.19

Polar Surface Area

36.900

Acid Dissociation Constant (pKa)

6.74

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

6143-0087 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6143-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6143-0087?
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What is the minimum amount of 6143-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6143-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6143-0087
  • 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 6143-0087 available by request