5750-2691 Screening compound: [4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate

5750-2691 Screening compound: [4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate
5750-2691 Screening compound: [4-amino-6-(phenylamino)-1,3,5-triazin-2-yl]methyl morpholine-4-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5750-2691
[4-amino-6-(phenylamino)-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

5750-2691

Molecular Formula

C15H18N6OS2 (C15 H18 N6 OS2)

Compound Name

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

IUPAC name

[4-amino-6-(phenylamino)-135-triazin-2-yl]methyl morpholine-4-carbodithioate

SMILES

Nc1nc(CSC(N2CCOCC2)=S)nc(Nc2ccccc2)n1

InChI

InChI=1S/C15H18N6OS2/c16-13-18-12(10-24-15(23)21-6-8-22-9-7-21)19-14(20-13)17-11-4-2-1-3-5-11/h1-5H,6-10H2,(H3,16,17,18,19,20)

InChI Key

VBICQALTTROOEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03293218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.577

Distribution Coefficient, logD

2.574

Water Solubility, LogSw

-2.94

Polar Surface Area

72.337

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5750-2691 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5750-2691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5750-2691?
Check Price and Availability of 5750-2691, 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 5750-2691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5750-2691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5750-2691
  • 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 5750-2691 available by request