5470-0025 Screening compound: 6-chloro-N2-(4-chlorophenyl)-N4-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine

5470-0025 Screening compound: 6-chloro-N2-(4-chlorophenyl)-N4-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine
5470-0025 Screening compound: 6-chloro-N2-(4-chlorophenyl)-N4-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5470-0025
6-chloro-N2-(4-chlorophenyl)-N4-[2-(3,4-dimethoxyphenyl)ethyl]-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

5470-0025

Molecular Formula

C19H19Cl2N5O2 (C19 H19 Cl2 N5 O2)

Compound Name

6-chloro-N2-(4-chlorophenyl)-N4-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazine-2,4-diamine

IUPAC name

6-chloro-N2-(4-chlorophenyl)-N4-[2-(34-dimethoxyphenyl)ethyl]-135-triazine-24-diamine

SMILES

COc(ccc(CCNc1nc(Cl)nc(Nc(cc2)ccc2Cl)n1)c1)c1OC

InChI

InChI=1S/C19H19Cl2N5O2/c1-27-15-8-3-12(11-16(15)28-2)9-10-22-18-24-17(21)25-19(26-18)23-14-6-4-13(20)5-7-14/h3-8,11H,9-10H2,1-2H3,(H2,22,23,24,25,26)

InChI Key

SGWIZPBRWHFPQU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-4.83

Polar Surface Area

66.356

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

5470-0025 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5470-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5470-0025?
Check Price and Availability of 5470-0025, 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 5470-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5470-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5470-0025
  • 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 5470-0025 available by request