5161-0142 Screening compound: {4-amino-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl morpholine-4-carbodithioate

5161-0142 Screening compound: {4-amino-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl morpholine-4-carbodithioate
5161-0142 Screening compound: {4-amino-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl morpholine-4-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5161-0142
{4-amino-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl morpholine-4-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

5161-0142

Molecular Formula

C16H20N6O2S2 (C16 H20 N6 O2 S2)

Compound Name

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

IUPAC name

{4-amino-6-[(4-methoxyphenyl)amino]-135-triazin-2-yl}methyl morpholine-4-carbodithioate

SMILES

COc(cc1)ccc1Nc1nc(N)nc(CSC(N2CCOCC2)=S)n1

InChI

InChI=1S/C16H20N6O2S2/c1-23-12-4-2-11(3-5-12)18-15-20-13(19-14(17)21-15)10-26-16(25)22-6-8-24-9-7-22/h2-5H,6-10H2,1H3,(H3,17,18,19,20,21)

InChI Key

MGDYIPCYODQSPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03291668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.752

Distribution Coefficient, logD

2.749

Water Solubility, LogSw

-3.26

Polar Surface Area

79.881

Acid Dissociation Constant (pKa)

17.32

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

5161-0142 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 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 5161-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5161-0142?
Check Price and Availability of 5161-0142, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5161-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5161-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5161-0142
  • 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 5161-0142 available by request