5594-3014 Screening compound: N2,N4-bis(4-ethoxyphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine

5594-3014 Screening compound: N2,N4-bis(4-ethoxyphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
5594-3014 Screening compound: N2,N4-bis(4-ethoxyphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-3014
N2,N4-bis(4-ethoxyphenyl)-6-(morpholin-4-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

5594-3014

Molecular Formula

C23H28N6O3 (C23 H28 N6 O3)

Compound Name

N2,N4-bis(4-ethoxyphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2N4-bis(4-ethoxyphenyl)-6-(morpholin-4-yl)-135-triazine-24-diamine

SMILES

CCOc(cc1)ccc1Nc1nc(N2CCOCC2)nc(Nc(cc2)ccc2OCC)n1

InChI

InChI=1S/C23H28N6O3/c1-3-31-19-9-5-17(6-10-19)24-21-26-22(25-18-7-11-20(12-8-18)32-4-2)28-23(27-21)29-13-15-30-16-14-29/h5-12H,3-4,13-16H2,1-2H3,(H2,24,25,26,27,28)

InChI Key

DUHNHTWOZHQHFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03147057

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.814

Distribution Coefficient, logD

5.812

Water Solubility, LogSw

-5.62

Polar Surface Area

74.733

Acid Dissociation Constant (pKa)

17.41

Base Dissociation Constant (pKb)

5.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

5594-3014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Autophagy-Targeted Library (4564 compounds)

Human Kinases Annotated Library (2415 compounds)

PI3K-Targeted Library (17255 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Akt-Targeted Library (14764 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 5594-3014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-3014?
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What is the minimum amount of 5594-3014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-3014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-3014
  • 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 5594-3014 available by request