8012-5207 Screening compound: N2-benzyl-6-(2,2,2-trifluoroethoxy)-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine

8012-5207 Screening compound: N2-benzyl-6-(2,2,2-trifluoroethoxy)-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
8012-5207 Screening compound: N2-benzyl-6-(2,2,2-trifluoroethoxy)-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5207
N2-benzyl-6-(2,2,2-trifluoroethoxy)-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

8012-5207

Molecular Formula

C19H15F6N5O2 (C19 H15 F6 N5 O2)

Compound Name

N2-benzyl-6-(2,2,2-trifluoroethoxy)-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine

IUPAC name

N2-benzyl-6-(222-trifluoroethoxy)-N4-[4-(trifluoromethoxy)phenyl]-135-triazine-24-diamine

SMILES

FC(COc1nc(NCc2ccccc2)nc(Nc(cc2)ccc2OC(F)(F)F)n1)(F)F

InChI

InChI=1S/C19H15F6N5O2/c20-18(21,22)11-31-17-29-15(26-10-12-4-2-1-3-5-12)28-16(30-17)27-13-6-8-14(9-7-13)32-19(23,24)25/h1-9H,10-11H2,(H2,26,27,28,29,30)

InChI Key

BAFQPHWETVWBCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.580

Distribution Coefficient, logD

6.580

Water Solubility, LogSw

-6.28

Polar Surface Area

64.757

Acid Dissociation Constant (pKa)

15.57

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 8012-5207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5207?
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What is the minimum amount of 8012-5207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5207
  • 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 8012-5207 available by request