6359-0085 Screening compound: {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate

6359-0085 Screening compound: {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate
6359-0085 Screening compound: {4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6359-0085
{4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate

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

6359-0085

Molecular Formula

C21H22FN7S2 (C21 H22 FN7 S2)

Compound Name

{4-amino-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate

IUPAC name

{4-amino-6-[(4-fluorophenyl)amino]-135-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate

SMILES

Nc1nc(CSC(N(CC2)CCN2c2ccccc2)=S)nc(Nc(cc2)ccc2F)n1

InChI

InChI=1S/C21H22FN7S2/c22-15-6-8-16(9-7-15)24-20-26-18(25-19(23)27-20)14-31-21(30)29-12-10-28(11-13-29)17-4-2-1-3-5-17/h1-9H,10-14H2,(H3,23,24,25,26,27)

InChI Key

BDIWRLFHQNJQPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03871861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.592

Distribution Coefficient, logD

4.589

Water Solubility, LogSw

-4.48

Polar Surface Area

67.689

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

6359-0085 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6359-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6359-0085?
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What is the minimum amount of 6359-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6359-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6359-0085
  • 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 6359-0085 available by request