5645-0013 Screening compound: 6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

5645-0013 Screening compound: 6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
5645-0013 Screening compound: 6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5645-0013
6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

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

5645-0013

Molecular Formula

C17H19N7S (C17 H19 N7 S)

Compound Name

6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-{[(46-dimethylpyrimidin-2-yl)sulfanyl]methyl}-N2-(4-methylphenyl)-135-triazine-24-diamine

SMILES

Cc(cc1)ccc1Nc1nc(N)nc(CSc2nc(C)cc(C)n2)n1

InChI

InChI=1S/C17H19N7S/c1-10-4-6-13(7-5-10)21-16-23-14(22-15(18)24-16)9-25-17-19-11(2)8-12(3)20-17/h4-8H,9H2,1-3H3,(H3,18,21,22,23,24)

InChI Key

DXEGPDODFSNEFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03488026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.624

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-3.78

Polar Surface Area

78.243

Acid Dissociation Constant (pKa)

17.52

Base Dissociation Constant (pKb)

4.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5645-0013 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5645-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5645-0013?
Check Price and Availability of 5645-0013, 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 5645-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5645-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5645-0013
  • 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 5645-0013 available by request