P006-0346 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-amine

P006-0346 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-amine
P006-0346 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound P006-0346
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-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

P006-0346

Molecular Formula

C19H18N4O2 (C19 H18 N4 O2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-3-(4-methylphenyl)-1,2,4-triazin-5-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-methyl-3-(4-methylphenyl)-124-triazin-5-amine

SMILES

Cc(cc1)ccc1-c1nnc(C)c(NCc(cc2)cc3c2OCO3)n1

InChI

InChI=1S/C19H18N4O2/c1-12-3-6-15(7-4-12)19-21-18(13(2)22-23-19)20-10-14-5-8-16-17(9-14)25-11-24-16/h3-9H,10-11H2,1-2H3,(H,20,21,23)

InChI Key

WXXKCODSALMADN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558543

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.592

Distribution Coefficient, logD

3.563

Water Solubility, LogSw

-3.65

Polar Surface Area

60.232

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P006-0346 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

SmartTM Library (51161 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 P006-0346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P006-0346?
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What is the minimum amount of P006-0346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P006-0346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P006-0346
  • 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 P006-0346 available by request