5594-3033 Screening compound: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N2,N4-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine

5594-3033 Screening compound: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N2,N4-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine
5594-3033 Screening compound: 6-[4-(4-fluorophenyl)piperazin-1-yl]-N2,N4-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-3033
6-[4-(4-fluorophenyl)piperazin-1-yl]-N2,N4-bis(2-methylphenyl)-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

5594-3033

Molecular Formula

C27H28FN7 (C27 H28 FN7)

Compound Name

6-[4-(4-fluorophenyl)piperazin-1-yl]-N2,N4-bis(2-methylphenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-[4-(4-fluorophenyl)piperazin-1-yl]-N2N4-bis(2-methylphenyl)-135-triazine-24-diamine

SMILES

Cc(cccc1)c1Nc1nc(N(CC2)CCN2c(cc2)ccc2F)nc(Nc2c(C)cccc2)n1

InChI

InChI=1S/C27H28FN7/c1-19-7-3-5-9-23(19)29-25-31-26(30-24-10-6-4-8-20(24)2)33-27(32-25)35-17-15-34(16-18-35)22-13-11-21(28)12-14-22/h3-14H,15-18H2,1-2H3,(H2,29,30,31,32,33)

InChI Key

XNNCMANSHFMIRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03190391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.071

Distribution Coefficient, logD

7.067

Water Solubility, LogSw

-5.98

Polar Surface Area

54.442

Acid Dissociation Constant (pKa)

17.49

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5594-3033 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5594-3033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-3033?
Check Price and Availability of 5594-3033, 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 5594-3033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-3033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-3033
  • 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 5594-3033 available by request