1731-0034 Screening compound: N,N-diphenyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

1731-0034 Screening compound: N,N-diphenyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
1731-0034 Screening compound: N,N-diphenyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1731-0034
N,N-diphenyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

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

1731-0034

Molecular Formula

C22H22F3N5O (C22 H22 F3 N5 O)

Compound Name

N,N-diphenyl-4-(piperidin-1-yl)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

IUPAC name

NN-diphenyl-4-(piperidin-1-yl)-6-(222-trifluoroethoxy)-135-triazin-2-amine

SMILES

FC(COc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1)(F)F

InChI

InChI=1S/C22H22F3N5O/c23-22(24,25)16-31-21-27-19(29-14-8-3-9-15-29)26-20(28-21)30(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2

InChI Key

VGIWCQVTIHAINV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00331709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.452

Distribution Coefficient, logD

6.452

Water Solubility, LogSw

-6.10

Polar Surface Area

40.386

Acid Dissociation Constant (pKa)

19.02

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

1731-0034 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1731-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1731-0034?
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What is the minimum amount of 1731-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1731-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1731-0034
  • 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 1731-0034 available by request