5594-3016 Screening compound: N2,N4-bis(3,4-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine

5594-3016 Screening compound: N2,N4-bis(3,4-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine
5594-3016 Screening compound: N2,N4-bis(3,4-dimethylphenyl)-6-(morpholin-4-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-3016
N2,N4-bis(3,4-dimethylphenyl)-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

5594-3016

Molecular Formula

C23H28N6O (C23 H28 N6 O)

Compound Name

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

IUPAC name

N2N4-bis(34-dimethylphenyl)-6-(morpholin-4-yl)-135-triazine-24-diamine

SMILES

Cc(cc1)c(C)cc1Nc1nc(N2CCOCC2)nc(Nc2cc(C)c(C)cc2)n1

InChI

InChI=1S/C23H28N6O/c1-15-5-7-19(13-17(15)3)24-21-26-22(25-20-8-6-16(2)18(4)14-20)28-23(27-21)29-9-11-30-12-10-29/h5-8,13-14H,9-12H2,1-4H3,(H2,24,25,26,27,28)

InChI Key

SRFNGBRBXKJTBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03190377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.051

Distribution Coefficient, logD

7.036

Water Solubility, LogSw

-5.74

Polar Surface Area

60.486

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

5594-3016 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 5594-3016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-3016?
Check Price and Availability of 5594-3016, 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 5594-3016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-3016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-3016
  • 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 5594-3016 available by request