E461-0183 Screening compound: 3-[(4-chlorophenyl)methyl]-8-[(furan-2-yl)methyl]-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione

E461-0183 Screening compound: 3-[(4-chlorophenyl)methyl]-8-[(furan-2-yl)methyl]-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione
E461-0183 Screening compound: 3-[(4-chlorophenyl)methyl]-8-[(furan-2-yl)methyl]-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E461-0183
3-[(4-chlorophenyl)methyl]-8-[(furan-2-yl)methyl]-1-methyl-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

E461-0183

Molecular Formula

C20H18ClN5O3 (C20 H18 ClN5 O3)

Compound Name

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

IUPAC name

3-[(4-chlorophenyl)methyl]-8-[(furan-2-yl)methyl]-1-methyl-1H2H3H4H6H7H8H-imidazo[12-g]purine-24-dione

SMILES

CN(c1c(C(N2Cc(cc3)ccc3Cl)=O)n(CCN3Cc4ccco4)c3n1)C2=O

InChI

InChI=1S/C20H18ClN5O3/c1-23-17-16(18(27)26(20(23)28)11-13-4-6-14(21)7-5-13)25-9-8-24(19(25)22-17)12-15-3-2-10-29-15/h2-7,10H,8-9,11-12H2,1H3

InChI Key

HEQJFXLNINGWPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.676

Distribution Coefficient, logD

3.477

Water Solubility, LogSw

-4.04

Polar Surface Area

53.343

Acid Dissociation Constant (pKa)

23.17

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E461-0183 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E461-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E461-0183?
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What is the minimum amount of E461-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E461-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E461-0183
  • 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 E461-0183 available by request