8019-5336 Screening compound: 2-[3-(4-methoxybenzyl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]ethyl methyl ether

8019-5336 Screening compound: 2-[3-(4-methoxybenzyl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]ethyl methyl ether
8019-5336 Screening compound: 2-[3-(4-methoxybenzyl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]ethyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5336
2-[3-(4-methoxybenzyl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]ethyl methyl ether

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

8019-5336

Molecular Formula

C20H24N4O2 (C20 H24 N4 O2)

Compound Name

2-[3-(4-methoxybenzyl)-3,4-dihydro[1,3,5]triazino[1,2-a][1,3]benzimidazol-1(2H)-yl]ethyl methyl ether

IUPAC name

10-(2-methoxyethyl)-12-[(4-methoxyphenyl)methyl]-181012-tetraazatricyclo[7.4.0.0^{27}]trideca-2468-tetraene

SMILES

COCCN1c2nc(cccc3)c3n2CN(Cc(cc2)ccc2OC)C1

InChI

InChI=1S/C20H24N4O2/c1-25-12-11-23-14-22(13-16-7-9-17(26-2)10-8-16)15-24-19-6-4-3-5-18(19)21-20(23)24/h3-10H,11-15H2,1-2H3

InChI Key

AHZNBCYUPMHJMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09430668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

2.833

Water Solubility, LogSw

-4.01

Polar Surface Area

33.885

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

8.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8019-5336 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-5336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5336?
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What is the minimum amount of 8019-5336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5336
  • 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 8019-5336 available by request