8012-6164 Screening compound: 6-[4-(adamantan-1-yl)piperazin-1-yl]-N2-methyl-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine

8012-6164 Screening compound: 6-[4-(adamantan-1-yl)piperazin-1-yl]-N2-methyl-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
8012-6164 Screening compound: 6-[4-(adamantan-1-yl)piperazin-1-yl]-N2-methyl-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6164
6-[4-(adamantan-1-yl)piperazin-1-yl]-N2-methyl-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

8012-6164

Molecular Formula

C25H32F3N7O (C25 H32 F3 N7 O)

Compound Name

6-[4-(adamantan-1-yl)piperazin-1-yl]-N2-methyl-N4-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine

IUPAC name

6-[4-(adamantan-1-yl)piperazin-1-yl]-N2-methyl-N4-[4-(trifluoromethoxy)phenyl]-135-triazine-24-diamine

SMILES

CNc1nc(Nc(cc2)ccc2OC(F)(F)F)nc(N(CC2)CCN2C2(CC(C3)C4)CC4CC3C2)n1

InChI

InChI=1S/C25H32F3N7O/c1-29-21-31-22(30-19-2-4-20(5-3-19)36-25(26,27)28)33-23(32-21)34-6-8-35(9-7-34)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-5,16-18H,6-15H2,1H3,(H2,29,30,31,32,33)

InChI Key

IHEDSNPQMSCTSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.419

Distribution Coefficient, logD

7.175

Water Solubility, LogSw

-5.98

Polar Surface Area

63.210

Acid Dissociation Constant (pKa)

16.38

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.00

References: we are preparing a list of scientific research reports with 8012-6164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6164?
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What is the minimum amount of 8012-6164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6164
  • 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 8012-6164 available by request