8006-0042 Screening compound: N4-methyl-N2,N2-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

8006-0042 Screening compound: N4-methyl-N2,N2-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
8006-0042 Screening compound: N4-methyl-N2,N2-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-0042
N4-methyl-N2,N2-diphenyl-6-(2,2,2-trifluoroethoxy)-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

8006-0042

Molecular Formula

C18H16F3N5O (C18 H16 F3 N5 O)

Compound Name

N4-methyl-N2,N2-diphenyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

IUPAC name

N4-methyl-N2N2-diphenyl-6-(222-trifluoroethoxy)-135-triazine-24-diamine

SMILES

CNc1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1

InChI

InChI=1S/C18H16F3N5O/c1-22-15-23-16(25-17(24-15)27-12-18(19,20)21)26(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,22,23,24,25)

InChI Key

WGJONBKLHYQLDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00361350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.871

Distribution Coefficient, logD

4.871

Water Solubility, LogSw

-4.59

Polar Surface Area

49.797

Acid Dissociation Constant (pKa)

18.20

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8006-0042 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-0042?
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What is the minimum amount of 8006-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-0042
  • 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 8006-0042 available by request