Y020-0744 Screening compound: 6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-N2-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine

Y020-0744 Screening compound: 6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-N2-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
Y020-0744 Screening compound: 6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-N2-(4-ethoxyphenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0744
6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-N2-(4-ethoxyphenyl)-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

Y020-0744

Molecular Formula

C22H26ClN7O (C22 H26 ClN7 O)

Compound Name

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

IUPAC name

6-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-N2-(4-ethoxyphenyl)-135-triazine-24-diamine

SMILES

CCOc(cc1)ccc1Nc1nc(N)nc(CN(CC2)CCN2c2cccc(Cl)c2)n1

InChI

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

InChI Key

YDPBHHKDFJICRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06244531

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

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.154

Distribution Coefficient, logD

4.133

Water Solubility, LogSw

-4.27

Polar Surface Area

75.725

Acid Dissociation Constant (pKa)

17.23

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

Y020-0744 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-0744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0744?
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What is the minimum amount of Y020-0744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0744
  • 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 Y020-0744 available by request