5594-2886 Screening compound: N2,N4-bis(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine

5594-2886 Screening compound: N2,N4-bis(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
5594-2886 Screening compound: N2,N4-bis(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-2886
N2,N4-bis(4-fluorophenyl)-6-(4-methylpiperazin-1-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

5594-2886

Molecular Formula

C20H21F2N7 (C20 H21 F2 N7)

Compound Name

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

IUPAC name

N2N4-bis(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-135-triazine-24-diamine

SMILES

CN(CC1)CCN1c1nc(Nc(cc2)ccc2F)nc(Nc(cc2)ccc2F)n1

InChI

InChI=1S/C20H21F2N7/c1-28-10-12-29(13-11-28)20-26-18(23-16-6-2-14(21)3-7-16)25-19(27-20)24-17-8-4-15(22)5-9-17/h2-9H,10-13H2,1H3,(H2,23,24,25,26,27)

InChI Key

ZJFOKCJSDQHKEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03009921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

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

5.111

Distribution Coefficient, logD

4.539

Water Solubility, LogSw

-5.09

Polar Surface Area

56.054

Acid Dissociation Constant (pKa)

15.94

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5594-2886 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Kinases Inhibitors Library (36801 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:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 5594-2886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-2886?
Check Price and Availability of 5594-2886, 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 5594-2886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-2886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-2886
  • 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 5594-2886 available by request