1492-0079 Screening compound: 1-benzyl-3-[(E)-(benzylimino)(4-bromophenyl)methyl]-6-(4-bromophenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dithione

1492-0079 Screening compound: 1-benzyl-3-[(E)-(benzylimino)(4-bromophenyl)methyl]-6-(4-bromophenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dithione
1492-0079 Screening compound: 1-benzyl-3-[(E)-(benzylimino)(4-bromophenyl)methyl]-6-(4-bromophenyl)-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dithione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1492-0079
1-benzyl-3-[(E)-(benzylimino)(4-bromophenyl)methyl]-6-(4-bromophenyl)-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

1492-0079

Molecular Formula

C30H22Br2N4S2 (C30 H22 Br2 N4 S2)

Compound Name

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

IUPAC name

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

SMILES

S=C(N(Cc1ccccc1)C(c(cc1)ccc1Br)=N1)N(/C(/c(cc2)ccc2Br)=N/Cc2ccccc2)C1=S

InChI

InChI=1S/C30H22Br2N4S2/c31-25-15-11-23(12-16-25)27(33-19-21-7-3-1-4-8-21)36-29(37)34-28(24-13-17-26(32)18-14-24)35(30(36)38)20-22-9-5-2-6-10-22/h1-18H,19-20H2

InChI Key

BNFDPOGGAMWXCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00523093

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

662.47

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

8.513

Distribution Coefficient, logD

5.823

Water Solubility, LogSw

-6.52

Polar Surface Area

22.426

Acid Dissociation Constant (pKa)

32.90

Base Dissociation Constant (pKb)

10.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

1492-0079 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1492-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1492-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1492-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1492-0079
  • 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 1492-0079 available by request