5672-0039 Screening compound: N2-ethyl-6-({6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl}oxy)-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine

5672-0039 Screening compound: N2-ethyl-6-({6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl}oxy)-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
5672-0039 Screening compound: N2-ethyl-6-({6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl}oxy)-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5672-0039
N2-ethyl-6-({6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl}oxy)-N4-(propan-2-yl)-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

5672-0039

Molecular Formula

C21H27N7O3 (C21 H27 N7 O3)

Compound Name

N2-ethyl-6-({6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl}oxy)-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-ethyl-6-({6-[2-(2-methylphenoxy)ethoxy]pyridazin-3-yl}oxy)-N4-(propan-2-yl)-135-triazine-24-diamine

SMILES

CCNc1nc(Oc(cc2)nnc2OCCOc2c(C)cccc2)nc(NC(C)C)n1

InChI

InChI=1S/C21H27N7O3/c1-5-22-19-24-20(23-14(2)3)26-21(25-19)31-18-11-10-17(27-28-18)30-13-12-29-16-9-7-6-8-15(16)4/h6-11,14H,5,12-13H2,1-4H3,(H2,22,23,24,25,26)

InChI Key

YFFWRGQKLDGUAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03627925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.458

Distribution Coefficient, logD

4.458

Water Solubility, LogSw

-4.46

Polar Surface Area

94.728

Acid Dissociation Constant (pKa)

15.90

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with 5672-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5672-0039?
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What is the minimum amount of 5672-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5672-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5672-0039
  • 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 5672-0039 available by request