Y020-0899 Screening compound: N2-(4-methoxyphenyl)-6-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,3,5-triazine-2,4-diamine

Y020-0899 Screening compound: N2-(4-methoxyphenyl)-6-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,3,5-triazine-2,4-diamine
Y020-0899 Screening compound: N2-(4-methoxyphenyl)-6-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0899
N2-(4-methoxyphenyl)-6-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-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

Y020-0899

Molecular Formula

C20H22N6O (C20 H22 N6 O)

Compound Name

N2-(4-methoxyphenyl)-6-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(4-methoxyphenyl)-6-[(1234-tetrahydroisoquinolin-2-yl)methyl]-135-triazine-24-diamine

SMILES

COc(cc1)ccc1Nc1nc(N)nc(CN(CC2)Cc3c2cccc3)n1

InChI

InChI=1S/C20H22N6O/c1-27-17-8-6-16(7-9-17)22-20-24-18(23-19(21)25-20)13-26-11-10-14-4-2-3-5-15(14)12-26/h2-9H,10-13H2,1H3,(H3,21,22,23,24,25)

InChI Key

CAEQVIGLPQWWJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04169498

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.533

Distribution Coefficient, logD

3.431

Water Solubility, LogSw

-3.64

Polar Surface Area

72.546

Acid Dissociation Constant (pKa)

17.23

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y020-0899 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y020-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0899?
Check Price and Availability of Y020-0899, 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 Y020-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0899
  • 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 Y020-0899 available by request