3495-0135 Screening compound: N-(4-methylphenyl)-5,6-diphenyl-1,2,4-triazin-3-amine

3495-0135 Screening compound: N-(4-methylphenyl)-5,6-diphenyl-1,2,4-triazin-3-amine
3495-0135 Screening compound: N-(4-methylphenyl)-5,6-diphenyl-1,2,4-triazin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3495-0135
N-(4-methylphenyl)-5,6-diphenyl-1,2,4-triazin-3-amine

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

3495-0135

Molecular Formula

C22H18N4 (C22 H18 N4)

Compound Name

N-(4-methylphenyl)-5,6-diphenyl-1,2,4-triazin-3-amine

IUPAC name

N-(4-methylphenyl)-56-diphenyl-124-triazin-3-amine

SMILES

Cc(cc1)ccc1Nc1nc(-c2ccccc2)c(-c2ccccc2)nn1

InChI

InChI=1S/C22H18N4/c1-16-12-14-19(15-13-16)23-22-24-20(17-8-4-2-5-9-17)21(25-26-22)18-10-6-3-7-11-18/h2-15H,1H3,(H,23,24,26)

InChI Key

SXJVABHMRHEPRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00293973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.058

Distribution Coefficient, logD

5.058

Water Solubility, LogSw

-4.70

Polar Surface Area

42.981

Acid Dissociation Constant (pKa)

19.44

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

3495-0135 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3495-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3495-0135?
Check Price and Availability of 3495-0135, 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 3495-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3495-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3495-0135
  • 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 3495-0135 available by request