8013-2391 Screening compound: 4-ethyl-1-(2-hydroxyethyl)-7,9-dimethyl-3-phenyl-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione

8013-2391 Screening compound: 4-ethyl-1-(2-hydroxyethyl)-7,9-dimethyl-3-phenyl-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione
8013-2391 Screening compound: 4-ethyl-1-(2-hydroxyethyl)-7,9-dimethyl-3-phenyl-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 8013-2391
4-ethyl-1-(2-hydroxyethyl)-7,9-dimethyl-3-phenyl-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

8013-2391

Molecular Formula

C19H22N6O3 (C19 H22 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(c1ccccc1)=NN1CCO)n2c1nc(N(C)C(N1C)=O)c2C1=O

InChI

InChI=1S/C19H22N6O3/c1-4-13-14(12-8-6-5-7-9-12)21-24(10-11-26)18-20-16-15(25(13)18)17(27)23(3)19(28)22(16)2/h5-9,13,26H,4,10-11H2,1-3H3/t13-/m0/s1

InChI Key

UZKKGOSTSPSBQE-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03296514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.725

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-2.69

Polar Surface Area

73.556

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

8013-2391 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Nucleoside Mimetics Library (2197 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-2391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2391?
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What is the minimum amount of 8013-2391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2391
  • 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 8013-2391 available by request