Y021-0346 Screening compound: 6-[(4-benzylpiperazin-1-yl)methyl]-N2-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine

Y021-0346 Screening compound: 6-[(4-benzylpiperazin-1-yl)methyl]-N2-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
Y021-0346 Screening compound: 6-[(4-benzylpiperazin-1-yl)methyl]-N2-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-0346
6-[(4-benzylpiperazin-1-yl)methyl]-N2-(4-chlorophenyl)-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

Y021-0346

Molecular Formula

C21H24ClN7 (C21 H24 ClN7)

Compound Name

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

IUPAC name

6-[(4-benzylpiperazin-1-yl)methyl]-N2-(4-chlorophenyl)-135-triazine-24-diamine

SMILES

Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(Nc(cc2)ccc2Cl)n1

InChI

InChI=1S/C21H24ClN7/c22-17-6-8-18(9-7-17)24-21-26-19(25-20(23)27-21)15-29-12-10-28(11-13-29)14-16-4-2-1-3-5-16/h1-9H,10-15H2,(H3,23,24,25,26,27)

InChI Key

HLVRISRDJZRVIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08546554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.477

Distribution Coefficient, logD

3.208

Water Solubility, LogSw

-3.85

Polar Surface Area

68.881

Acid Dissociation Constant (pKa)

15.76

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Y021-0346 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y021-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-0346?
Check Price and Availability of Y021-0346, 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 Y021-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-0346
  • 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 Y021-0346 available by request