8011-8086 Screening compound: 1-(2-hydroxyethyl)-3-(3-methoxyphenyl)-7,9-dimethyl-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione

8011-8086 Screening compound: 1-(2-hydroxyethyl)-3-(3-methoxyphenyl)-7,9-dimethyl-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione
8011-8086 Screening compound: 1-(2-hydroxyethyl)-3-(3-methoxyphenyl)-7,9-dimethyl-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8086
1-(2-hydroxyethyl)-3-(3-methoxyphenyl)-7,9-dimethyl-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione

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

8011-8086

Molecular Formula

C18H20N6O4 (C18 H20 N6 O4)

Compound Name

1-(2-hydroxyethyl)-3-(3-methoxyphenyl)-7,9-dimethyl-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione

IUPAC name

1-(2-hydroxyethyl)-3-(3-methoxyphenyl)-79-dimethyl-1H4H6H7H8H9H-[124]triazino[43-g]purine-68-dione

SMILES

CN(c1c(C(N2C)=O)n(CC(c3cc(OC)ccc3)=NN3CCO)c3n1)C2=O

InChI

InChI=1S/C18H20N6O4/c1-21-15-14(16(26)22(2)18(21)27)23-10-13(11-5-4-6-12(9-11)28-3)20-24(7-8-25)17(23)19-15/h4-6,9,25H,7-8,10H2,1-3H3

InChI Key

YOBVYQQTGNHADI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.832

Distribution Coefficient, logD

1.832

Water Solubility, LogSw

-2.13

Polar Surface Area

81.061

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8011-8086 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8011-8086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8086?
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What is the minimum amount of 8011-8086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8086
  • 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 8011-8086 available by request