Y021-0352 Screening compound: 6-[(4-methylpiperazin-1-yl)methyl]-N2-(naphthalen-1-yl)-1,3,5-triazine-2,4-diamine

Y021-0352 Screening compound: 6-[(4-methylpiperazin-1-yl)methyl]-N2-(naphthalen-1-yl)-1,3,5-triazine-2,4-diamine
Y021-0352 Screening compound: 6-[(4-methylpiperazin-1-yl)methyl]-N2-(naphthalen-1-yl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0352
6-[(4-methylpiperazin-1-yl)methyl]-N2-(naphthalen-1-yl)-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

Y021-0352

Molecular Formula

C19H23N7 (C19 H23 N7)

Compound Name

6-[(4-methylpiperazin-1-yl)methyl]-N2-(naphthalen-1-yl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(4-methylpiperazin-1-yl)methyl]-N2-(naphthalen-1-yl)-135-triazine-24-diamine

SMILES

CN1CCN(Cc2nc(Nc3cccc4ccccc34)nc(N)n2)CC1

InChI

InChI=1S/C19H23N7/c1-25-9-11-26(12-10-25)13-17-22-18(20)24-19(23-17)21-16-8-4-6-14-5-2-3-7-15(14)16/h2-8H,9-13H2,1H3,(H3,20,21,22,23,24)

InChI Key

MZJPHJZGOMHMCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08575826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.183

Distribution Coefficient, logD

1.212

Water Solubility, LogSw

-2.65

Polar Surface Area

67.848

Acid Dissociation Constant (pKa)

16.84

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

Y021-0352 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 Y021-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0352?
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What is the minimum amount of Y021-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0352
  • 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 Y021-0352 available by request