8013-2392 Screening compound: 6-ethyl-8-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

8013-2392 Screening compound: 6-ethyl-8-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione
8013-2392 Screening compound: 6-ethyl-8-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2392
6-ethyl-8-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-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

8013-2392

Molecular Formula

C25H25N5O3 (C25 H25 N5 O3)

Compound Name

6-ethyl-8-(2-hydroxy-2-phenylethyl)-1,3-dimethyl-7-phenyl-1H,2H,3H,4H,8H-imidazo[1,2-g]purine-2,4-dione

IUPAC name

6-ethyl-8-(2-hydroxy-2-phenylethyl)-13-dimethyl-7-phenyl-1H2H3H4H8H-imidazo[12-g]purine-24-dione

SMILES

CCc1c(-c2ccccc2)n(CC(c2ccccc2)O)c2nc(N(C)C(N(C)C3=O)=O)c3n12

InChI

InChI=1S/C25H25N5O3/c1-4-18-20(17-13-9-6-10-14-17)29(15-19(31)16-11-7-5-8-12-16)24-26-22-21(30(18)24)23(32)28(3)25(33)27(22)2/h5-14,19,31H,4,15H2,1-3H3/t19-/m0/s1

InChI Key

VHCWXFVSNVGSEN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03298821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-3.97

Polar Surface Area

61.739

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

8013-2392 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8013-2392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2392?
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What is the minimum amount of 8013-2392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2392
  • 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 8013-2392 available by request