Y021-0354 Screening compound: N2-(3-chloro-4-methylphenyl)-6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine

Y021-0354 Screening compound: N2-(3-chloro-4-methylphenyl)-6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine
Y021-0354 Screening compound: N2-(3-chloro-4-methylphenyl)-6-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0354
N2-(3-chloro-4-methylphenyl)-6-{[4-(2-methoxyphenyl)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

Y021-0354

Molecular Formula

C22H26ClN7O (C22 H26 ClN7 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(Nc1nc(N)nc(CN(CC2)CCN2c(cccc2)c2OC)n1)c1)c1Cl

InChI

InChI=1S/C22H26ClN7O/c1-15-7-8-16(13-17(15)23)25-22-27-20(26-21(24)28-22)14-29-9-11-30(12-10-29)18-5-3-4-6-19(18)31-2/h3-8,13H,9-12,14H2,1-2H3,(H3,24,25,26,27,28)

InChI Key

GDNWRIQWTSWIDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06591265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.95

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

4.592

Distribution Coefficient, logD

4.580

Water Solubility, LogSw

-4.66

Polar Surface Area

75.931

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

Y021-0354 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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 Y021-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0354?
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What is the minimum amount of Y021-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0354
  • 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 Y021-0354 available by request