1492-0279 Screening compound: 1-benzyl-3-[(E)-(benzylimino)(4-methylphenyl)methyl]-6-(4-methylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dithione

1492-0279 Screening compound: 1-benzyl-3-[(E)-(benzylimino)(4-methylphenyl)methyl]-6-(4-methylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dithione
1492-0279 Screening compound: 1-benzyl-3-[(E)-(benzylimino)(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 1492-0279
1-benzyl-3-[(E)-(benzylimino)(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

1492-0279

Molecular Formula

C32H28N4S2 (C32 H28 N4 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1/C(/N(C(N(Cc1ccccc1)C(c1ccc(C)cc1)=N1)=S)C1=S)=N\Cc1ccccc1

InChI

InChI=1S/C32H28N4S2/c1-23-13-17-27(18-14-23)29(33-21-25-9-5-3-6-10-25)36-31(37)34-30(28-19-15-24(2)16-20-28)35(32(36)38)22-26-11-7-4-8-12-26/h3-20H,21-22H2,1-2H3

InChI Key

PDYXKUJZDKQLGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00496894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.692

Distribution Coefficient, logD

4.038

Water Solubility, LogSw

-5.96

Polar Surface Area

22.426

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

11.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1492-0279 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 1492-0279 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1492-0279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1492-0279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1492-0279
  • 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 1492-0279 available by request