Y020-0686 Screening compound: 6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine

Y020-0686 Screening compound: 6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
Y020-0686 Screening compound: 6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-N2-(4-methylphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0686
6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-N2-(4-methylphenyl)-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

Y020-0686

Molecular Formula

C22H27N7O (C22 H27 N7 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1Nc1nc(N)nc(CN(CC2)CCN2c(cccc2)c2OC)n1

InChI

InChI=1S/C22H27N7O/c1-16-7-9-17(10-8-16)24-22-26-20(25-21(23)27-22)15-28-11-13-29(14-12-28)18-5-3-4-6-19(18)30-2/h3-10H,11-15H2,1-2H3,(H3,23,24,25,26,27)

InChI Key

CLLPXGLSNMQJCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06192090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.94

Polar Surface Area

75.931

Acid Dissociation Constant (pKa)

17.43

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

Y020-0686 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y020-0686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0686?
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What is the minimum amount of Y020-0686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0686
  • 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 Y020-0686 available by request