8016-9454 Screening compound: N2-ethyl-6-{[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy}-1,3,5-triazine-2,4-diamine

8016-9454 Screening compound: N2-ethyl-6-{[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy}-1,3,5-triazine-2,4-diamine
8016-9454 Screening compound: N2-ethyl-6-{[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy}-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9454
N2-ethyl-6-{[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy}-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

8016-9454

Molecular Formula

C17H19N7O3 (C17 H19 N7 O3)

Compound Name

N2-ethyl-6-{[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy}-1,3,5-triazine-2,4-diamine

IUPAC name

N2-ethyl-6-{[6-(2-phenoxyethoxy)pyridazin-3-yl]oxy}-135-triazine-24-diamine

SMILES

CCNc1nc(N)nc(Oc(cc2)nnc2OCCOc2ccccc2)n1

InChI

InChI=1S/C17H19N7O3/c1-2-19-16-20-15(18)21-17(22-16)27-14-9-8-13(23-24-14)26-11-10-25-12-6-4-3-5-7-12/h3-9H,2,10-11H2,1H3,(H3,18,19,20,21,22)

InChI Key

NVSJUYNCZWCLQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.551

Distribution Coefficient, logD

2.551

Water Solubility, LogSw

-2.73

Polar Surface Area

104.493

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

8016-9454 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 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 8016-9454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9454?
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What is the minimum amount of 8016-9454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9454
  • 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 8016-9454 available by request