P006-1431 Screening compound: N-(2-methoxybenzyl)-N-[3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-yl]amine

P006-1431 Screening compound: N-(2-methoxybenzyl)-N-[3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-yl]amine
P006-1431 Screening compound: N-(2-methoxybenzyl)-N-[3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P006-1431
N-(2-methoxybenzyl)-N-[3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-yl]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

P006-1431

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

N-(2-methoxybenzyl)-N-[3-(4-methoxyphenyl)-6-methyl-1,2,4-triazin-5-yl]amine

IUPAC name

3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-124-triazin-5-amine

SMILES

Cc1nnc(-c(cc2)ccc2OC)nc1NCc(cccc1)c1OC

InChI

InChI=1S/C19H20N4O2/c1-13-18(20-12-15-6-4-5-7-17(15)25-3)21-19(23-22-13)14-8-10-16(24-2)11-9-14/h4-11H,12H2,1-3H3,(H,20,21,23)

InChI Key

NZTJIPUDYZLAAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-3.64

Polar Surface Area

58.291

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

P006-1431 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 P006-1431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P006-1431?
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What is the minimum amount of P006-1431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P006-1431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P006-1431
  • 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 P006-1431 available by request