4060-0077 Screening compound: N2,N4-bis(4-chlorophenyl)-6-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3,5-triazine-2,4-diamine

4060-0077 Screening compound: N2,N4-bis(4-chlorophenyl)-6-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3,5-triazine-2,4-diamine
4060-0077 Screening compound: N2,N4-bis(4-chlorophenyl)-6-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4060-0077
N2,N4-bis(4-chlorophenyl)-6-(1,2,3,4-tetrahydroisoquinolin-2-yl)-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

4060-0077

Molecular Formula

C24H20Cl2N6 (C24 H20 Cl2 N6)

Compound Name

N2,N4-bis(4-chlorophenyl)-6-(1,2,3,4-tetrahydroisoquinolin-2-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2N4-bis(4-chlorophenyl)-6-(1234-tetrahydroisoquinolin-2-yl)-135-triazine-24-diamine

SMILES

Clc(cc1)ccc1Nc1nc(Nc(cc2)ccc2Cl)nc(N(CC2)Cc3c2cccc3)n1

InChI

InChI=1S/C24H20Cl2N6/c25-18-5-9-20(10-6-18)27-22-29-23(28-21-11-7-19(26)8-12-21)31-24(30-22)32-14-13-16-3-1-2-4-17(16)15-32/h1-12H,13-15H2,(H2,27,28,29,30,31)

InChI Key

AEVVPNCHLUBTNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02236498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.189

Distribution Coefficient, logD

8.183

Water Solubility, LogSw

-6.97

Polar Surface Area

52.239

Acid Dissociation Constant (pKa)

15.85

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4060-0077 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4060-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4060-0077?
Check Price and Availability of 4060-0077, 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 4060-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4060-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4060-0077
  • 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 4060-0077 available by request