E461-0197 Screening compound: ethyl 2-{8-[(furan-2-yl)methyl]-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}acetate

E461-0197 Screening compound: ethyl 2-{8-[(furan-2-yl)methyl]-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}acetate
E461-0197 Screening compound: ethyl 2-{8-[(furan-2-yl)methyl]-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E461-0197
ethyl 2-{8-[(furan-2-yl)methyl]-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}acetate

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

E461-0197

Molecular Formula

C17H19N5O5 (C17 H19 N5 O5)

Compound Name

ethyl 2-{8-[(furan-2-yl)methyl]-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}acetate

IUPAC name

ethyl 2-{8-[(furan-2-yl)methyl]-1-methyl-24-dioxo-1H2H3H4H6H7H8H-imidazo[12-g]purin-3-yl}acetate

SMILES

CCOC(CN(C(c1c(N2C)nc3n1CCN3Cc1ccco1)=O)C2=O)=O

InChI

InChI=1S/C17H19N5O5/c1-3-26-12(23)10-22-15(24)13-14(19(2)17(22)25)18-16-20(6-7-21(13)16)9-11-5-4-8-27-11/h4-5,8H,3,6-7,9-10H2,1-2H3

InChI Key

YTBMNWDNJNEWQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05958900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.513

Distribution Coefficient, logD

1.419

Water Solubility, LogSw

-1.78

Polar Surface Area

73.774

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

E461-0197 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E461-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E461-0197?
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What is the minimum amount of E461-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E461-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E461-0197
  • 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 E461-0197 available by request