8010-0815 Screening compound: 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione

8010-0815 Screening compound: 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-7,9-dimethyl-1H,4H,6H,7H,8H,9H-[1,2,4]triazino[4,3-g]purine-6,8-dione
8010-0815 Screening compound: 3-(4-chlorophenyl)-1-(2-hydroxyethyl)-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 8010-0815
3-(4-chlorophenyl)-1-(2-hydroxyethyl)-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

8010-0815

Molecular Formula

C17H17ClN6O3 (C17 H17 ClN6 O3)

Compound Name

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

IUPAC name

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

SMILES

CN(c1c(C(N2C)=O)n(CC(c(cc3)ccc3Cl)=NN3CCO)c3n1)C2=O

InChI

InChI=1S/C17H17ClN6O3/c1-21-14-13(15(26)22(2)17(21)27)23-9-12(10-3-5-11(18)6-4-10)20-24(7-8-25)16(23)19-14/h3-6,25H,7-9H2,1-2H3

InChI Key

PCDJUZWFLURFFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01871064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.391

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-3.07

Polar Surface Area

73.518

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

8010-0815 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 8010-0815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0815?
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What is the minimum amount of 8010-0815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0815
  • 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 8010-0815 available by request