Y020-0799 Screening compound: N2-(3-chloro-4-methylphenyl)-6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine

Y020-0799 Screening compound: N2-(3-chloro-4-methylphenyl)-6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine
Y020-0799 Screening compound: N2-(3-chloro-4-methylphenyl)-6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0799
N2-(3-chloro-4-methylphenyl)-6-{[4-(furan-2-carbonyl)piperazin-1-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

Y020-0799

Molecular Formula

C20H22ClN7O2 (C20 H22 ClN7 O2)

Compound Name

N2-(3-chloro-4-methylphenyl)-6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(3-chloro-4-methylphenyl)-6-{[4-(furan-2-carbonyl)piperazin-1-yl]methyl}-135-triazine-24-diamine

SMILES

Cc(ccc(Nc1nc(N)nc(CN(CC2)CCN2C(c2ccco2)=O)n1)c1)c1Cl

InChI

InChI=1S/C20H22ClN7O2/c1-13-4-5-14(11-15(13)21)23-20-25-17(24-19(22)26-20)12-27-6-8-28(9-7-27)18(29)16-3-2-10-30-16/h2-5,10-11H,6-9,12H2,1H3,(H3,22,23,24,25,26)

InChI Key

OCYBHIUJWNPFOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06602538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.156

Water Solubility, LogSw

-3.34

Polar Surface Area

90.375

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

Y020-0799 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y020-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0799?
Check Price and Availability of Y020-0799, 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 Y020-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0799
  • 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 Y020-0799 available by request