3993-2732 Screening compound: 1-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methyl-[1,2,4]triazolo[4,3-a]quinoline

3993-2732 Screening compound: 1-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methyl-[1,2,4]triazolo[4,3-a]quinoline
3993-2732 Screening compound: 1-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methyl-[1,2,4]triazolo[4,3-a]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-2732
1-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methyl-[1,2,4]triazolo[4,3-a]quinoline

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

3993-2732

Molecular Formula

C18H13Cl2N3S (C18 H13 Cl2 N3 S)

Compound Name

1-{[(3,4-dichlorophenyl)methyl]sulfanyl}-5-methyl-[1,2,4]triazolo[4,3-a]quinoline

IUPAC name

1-{[(34-dichlorophenyl)methyl]sulfanyl}-5-methyl-[124]triazolo[43-a]quinoline

SMILES

Cc(c(cccc1)c1n12)cc2nnc1SCc(cc1)cc(Cl)c1Cl

InChI

InChI=1S/C18H13Cl2N3S/c1-11-8-17-21-22-18(23(17)16-5-3-2-4-13(11)16)24-10-12-6-7-14(19)15(20)9-12/h2-9H,10H2,1H3

InChI Key

PYNNYJVAXRFNBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02324528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.883

Distribution Coefficient, logD

5.883

Water Solubility, LogSw

-6.18

Polar Surface Area

21.082

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

3993-2732 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3993-2732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-2732?
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What is the minimum amount of 3993-2732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-2732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-2732
  • 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 3993-2732 available by request