8012-5042 Screening compound: N2-(4-methoxyphenyl)-6-(piperidin-1-yl)-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

8012-5042 Screening compound: N2-(4-methoxyphenyl)-6-(piperidin-1-yl)-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
8012-5042 Screening compound: N2-(4-methoxyphenyl)-6-(piperidin-1-yl)-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5042
N2-(4-methoxyphenyl)-6-(piperidin-1-yl)-N4-[3-(trifluoromethyl)phenyl]-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

8012-5042

Molecular Formula

C22H23F3N6O (C22 H23 F3 N6 O)

Compound Name

N2-(4-methoxyphenyl)-6-(piperidin-1-yl)-N4-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(4-methoxyphenyl)-6-(piperidin-1-yl)-N4-[3-(trifluoromethyl)phenyl]-135-triazine-24-diamine

SMILES

COc(cc1)ccc1Nc1nc(Nc2cccc(C(F)(F)F)c2)nc(N2CCCCC2)n1

InChI

InChI=1S/C22H23F3N6O/c1-32-18-10-8-16(9-11-18)26-19-28-20(30-21(29-19)31-12-3-2-4-13-31)27-17-7-5-6-15(14-17)22(23,24)25/h5-11,14H,2-4,12-13H2,1H3,(H2,26,27,28,29,30)

InChI Key

OFAOSDOSGWXHHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.261

Distribution Coefficient, logD

7.245

Water Solubility, LogSw

-5.89

Polar Surface Area

60.121

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8012-5042 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 8012-5042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5042?
Check Price and Availability of 8012-5042, 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 8012-5042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5042
  • 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 8012-5042 available by request