3376-6511 Screening compound: 1-methyl-3-[(E)-(methylimino)(4-methylphenyl)methyl]-6-(4-methylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dithione

3376-6511 Screening compound: 1-methyl-3-[(E)-(methylimino)(4-methylphenyl)methyl]-6-(4-methylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dithione
3376-6511 Screening compound: 1-methyl-3-[(E)-(methylimino)(4-methylphenyl)methyl]-6-(4-methylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dithione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3376-6511
1-methyl-3-[(E)-(methylimino)(4-methylphenyl)methyl]-6-(4-methylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dithione

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

3376-6511

Molecular Formula

C20H20N4S2 (C20 H20 N4 S2)

Compound Name

1-methyl-3-[(E)-(methylimino)(4-methylphenyl)methyl]-6-(4-methylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dithione

IUPAC name

1-methyl-3-[(E)-(methylimino)(4-methylphenyl)methyl]-6-(4-methylphenyl)-1234-tetrahydro-135-triazine-24-dithione

SMILES

Cc(cc1)ccc1/C(/N(C(N(C)C(c1ccc(C)cc1)=N1)=S)C1=S)=N\C

InChI

InChI=1S/C20H20N4S2/c1-13-5-9-15(10-6-13)17(21-3)24-19(25)22-18(23(4)20(24)26)16-11-7-14(2)8-12-16/h5-12H,1-4H3

InChI Key

RELYFPCUSSMMOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01795222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.051

Distribution Coefficient, logD

-0.957

Water Solubility, LogSw

-4.05

Polar Surface Area

24.970

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

12.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

3376-6511 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3376-6511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3376-6511?
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What is the minimum amount of 3376-6511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3376-6511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3376-6511
  • 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 3376-6511 available by request