Y020-0818 Screening compound: 6-[(4-methylpiperazin-1-yl)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine

Y020-0818 Screening compound: 6-[(4-methylpiperazin-1-yl)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine
Y020-0818 Screening compound: 6-[(4-methylpiperazin-1-yl)methyl]-N2-phenyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0818
6-[(4-methylpiperazin-1-yl)methyl]-N2-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

Y020-0818

Molecular Formula

C15H21N7 (C15 H21 N7)

Compound Name

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

IUPAC name

6-[(4-methylpiperazin-1-yl)methyl]-N2-phenyl-135-triazine-24-diamine

SMILES

CN1CCN(Cc2nc(Nc3ccccc3)nc(N)n2)CC1

InChI

InChI=1S/C15H21N7/c1-21-7-9-22(10-8-21)11-13-18-14(16)20-15(19-13)17-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H3,16,17,18,19,20)

InChI Key

SBBZYSNHRWBYLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03903868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.192

Distribution Coefficient, logD

0.221

Water Solubility, LogSw

-1.47

Polar Surface Area

68.817

Acid Dissociation Constant (pKa)

17.56

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y020-0818 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Fragments
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 Y020-0818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0818?
Check Price and Availability of Y020-0818, 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 Y020-0818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0818
  • 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 Y020-0818 available by request