4576-0042 Screening compound: 6-[(6-ethoxypyridazin-3-yl)oxy]-N2,N4-diethyl-1,3,5-triazine-2,4-diamine

4576-0042 Screening compound: 6-[(6-ethoxypyridazin-3-yl)oxy]-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
4576-0042 Screening compound: 6-[(6-ethoxypyridazin-3-yl)oxy]-N2,N4-diethyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4576-0042
6-[(6-ethoxypyridazin-3-yl)oxy]-N2,N4-diethyl-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

4576-0042

Molecular Formula

C13H19N7O2 (C13 H19 N7 O2)

Compound Name

6-[(6-ethoxypyridazin-3-yl)oxy]-N2,N4-diethyl-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(6-ethoxypyridazin-3-yl)oxy]-N2N4-diethyl-135-triazine-24-diamine

SMILES

CCNc1nc(Oc(cc2)nnc2OCC)nc(NCC)n1

InChI

InChI=1S/C13H19N7O2/c1-4-14-11-16-12(15-5-2)18-13(17-11)22-10-8-7-9(19-20-10)21-6-3/h7-8H,4-6H2,1-3H3,(H2,14,15,16,17,18)

InChI Key

VNUBMMDEYJDSRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03190353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.727

Distribution Coefficient, logD

2.727

Water Solubility, LogSw

-3.11

Polar Surface Area

87.853

Acid Dissociation Constant (pKa)

17.59

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

4576-0042 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4576-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4576-0042?
Check Price and Availability of 4576-0042, 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 4576-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4576-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4576-0042
  • 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 4576-0042 available by request