E461-0211 Screening compound: 8-[(furan-2-yl)methyl]-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione

E461-0211 Screening compound: 8-[(furan-2-yl)methyl]-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione
E461-0211 Screening compound: 8-[(furan-2-yl)methyl]-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E461-0211
8-[(furan-2-yl)methyl]-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,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

E461-0211

Molecular Formula

C21H21N5O3 (C21 H21 N5 O3)

Compound Name

8-[(furan-2-yl)methyl]-1-methyl-3-(2-phenylethyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione

IUPAC name

n/a

SMILES

CN(c1c(C(N2CCc3ccccc3)=O)n(CCN3Cc4ccco4)c3n1)C2=O

InChI

InChI=1S/C21H21N5O3/c1-23-18-17(19(27)26(21(23)28)10-9-15-6-3-2-4-7-15)25-12-11-24(20(25)22-18)14-16-8-5-13-29-16/h2-8,13H,9-12,14H2,1H3

InChI Key

SEKAQRWAUYOZMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.235

Distribution Coefficient, logD

3.211

Water Solubility, LogSw

-3.30

Polar Surface Area

53.322

Acid Dissociation Constant (pKa)

23.17

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E461-0211 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E461-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E461-0211?
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What is the minimum amount of E461-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E461-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E461-0211
  • 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 E461-0211 available by request