8012-7402 Screening compound: N2-[2-(adamantan-1-yloxy)ethyl]-N4-methyl-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine

8012-7402 Screening compound: N2-[2-(adamantan-1-yloxy)ethyl]-N4-methyl-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine
8012-7402 Screening compound: N2-[2-(adamantan-1-yloxy)ethyl]-N4-methyl-N6-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4,6-triamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7402
N2-[2-(adamantan-1-yloxy)ethyl]-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

8012-7402

Molecular Formula

C23H29F3N6O2 (C23 H29 F3 N6 O2)

Compound Name

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

IUPAC name

N2-[2-(adamantan-1-yloxy)ethyl]-N4-methyl-N6-[4-(trifluoromethoxy)phenyl]-135-triazine-246-triamine

SMILES

CNc1nc(Nc(cc2)ccc2OC(F)(F)F)nc(NCCOC2(CC(C3)C4)CC4CC3C2)n1

InChI

InChI=1S/C23H29F3N6O2/c1-27-19-30-20(28-6-7-33-22-11-14-8-15(12-22)10-16(9-14)13-22)32-21(31-19)29-17-2-4-18(5-3-17)34-23(24,25)26/h2-5,14-16H,6-13H2,1H3,(H3,27,28,29,30,31,32)

InChI Key

MYPPZTDBVHMESK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.121

Distribution Coefficient, logD

7.120

Water Solubility, LogSw

-5.95

Polar Surface Area

75.350

Acid Dissociation Constant (pKa)

16.92

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

8012-7402 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-7402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7402?
Check Price and Availability of 8012-7402, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8012-7402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7402
  • 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 8012-7402 available by request