Y020-1054 Screening compound: N2-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

Y020-1054 Screening compound: N2-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
Y020-1054 Screening compound: N2-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-1054
N2-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-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

Y020-1054

Molecular Formula

C11H9ClF3N5O (C11 H9 ClF3 N5 O)

Compound Name

N2-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(5-chloro-2-methoxyphenyl)-6-(trifluoromethyl)-135-triazine-24-diamine

SMILES

COc(ccc(Cl)c1)c1Nc1nc(N)nc(C(F)(F)F)n1

InChI

InChI=1S/C11H9ClF3N5O/c1-21-7-3-2-5(12)4-6(7)17-10-19-8(11(13,14)15)18-9(16)20-10/h2-4H,1H3,(H3,16,17,18,19,20)

InChI Key

RPMWHIXXWOUVEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05685483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.394

Distribution Coefficient, logD

3.394

Water Solubility, LogSw

-3.93

Polar Surface Area

67.550

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

Y020-1054 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-1054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-1054?
Check Price and Availability of Y020-1054, 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 Y020-1054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-1054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-1054
  • 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 Y020-1054 available by request