8012-5198 Screening compound: N2-tert-butyl-6-(piperidin-1-yl)-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine

8012-5198 Screening compound: N2-tert-butyl-6-(piperidin-1-yl)-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
8012-5198 Screening compound: N2-tert-butyl-6-(piperidin-1-yl)-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5198
N2-tert-butyl-6-(piperidin-1-yl)-N4-[4-(trifluoromethoxy)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

8012-5198

Molecular Formula

C19H25F3N6O (C19 H25 F3 N6 O)

Compound Name

N2-tert-butyl-6-(piperidin-1-yl)-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine

IUPAC name

N2-tert-butyl-6-(piperidin-1-yl)-N4-[4-(trifluoromethoxy)phenyl]-135-triazine-24-diamine

SMILES

CC(C)(C)Nc1nc(Nc(cc2)ccc2OC(F)(F)F)nc(N2CCCCC2)n1

InChI

InChI=1S/C19H25F3N6O/c1-18(2,3)27-16-24-15(25-17(26-16)28-11-5-4-6-12-28)23-13-7-9-14(10-8-13)29-19(20,21)22/h7-10H,4-6,11-12H2,1-3H3,(H2,23,24,25,26,27)

InChI Key

DNSBXNPXZCPNTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.44

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

6.966

Distribution Coefficient, logD

6.945

Water Solubility, LogSw

-5.84

Polar Surface Area

58.932

Acid Dissociation Constant (pKa)

16.38

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

References: we are preparing a list of scientific research reports with 8012-5198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5198?
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What is the minimum amount of 8012-5198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5198
  • 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 8012-5198 available by request