8012-5200 Screening compound: N2-tert-butyl-N4-methyl-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

8012-5200 Screening compound: N2-tert-butyl-N4-methyl-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
8012-5200 Screening compound: N2-tert-butyl-N4-methyl-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5200
N2-tert-butyl-N4-methyl-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

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

8012-5200

Molecular Formula

C15H19F3N6O (C15 H19 F3 N6 O)

Compound Name

N2-tert-butyl-N4-methyl-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

IUPAC name

N2-tert-butyl-N4-methyl-N6-[4-(trifluoromethoxy)phenyl]-135-triazine-246-triamine

SMILES

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

InChI

InChI=1S/C15H19F3N6O/c1-14(2,3)24-13-22-11(19-4)21-12(23-13)20-9-5-7-10(8-6-9)25-15(16,17)18/h5-8H,1-4H3,(H3,19,20,21,22,23,24)

InChI Key

UESILJGLYUFPAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.462

Distribution Coefficient, logD

5.427

Water Solubility, LogSw

-5.61

Polar Surface Area

68.343

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8012-5200 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 8012-5200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5200?
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What is the minimum amount of 8012-5200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5200
  • 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 8012-5200 available by request