E461-0418 Screening compound: 8-(4-fluorophenyl)-3-(2-methoxyethyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione

E461-0418 Screening compound: 8-(4-fluorophenyl)-3-(2-methoxyethyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione
E461-0418 Screening compound: 8-(4-fluorophenyl)-3-(2-methoxyethyl)-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 E461-0418
8-(4-fluorophenyl)-3-(2-methoxyethyl)-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

E461-0418

Molecular Formula

C17H18FN5O3 (C17 H18 FN5 O3)

Compound Name

8-(4-fluorophenyl)-3-(2-methoxyethyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione

IUPAC name

8-(4-fluorophenyl)-3-(2-methoxyethyl)-1-methyl-1H2H3H4H6H7H8H-imidazo[12-g]purine-24-dione

SMILES

CN(c1c(C(N2CCOC)=O)n(CCN3c(cc4)ccc4F)c3n1)C2=O

InChI

InChI=1S/C17H18FN5O3/c1-20-14-13(15(24)23(17(20)25)9-10-26-2)22-8-7-21(16(22)19-14)12-5-3-11(18)4-6-12/h3-6H,7-10H2,1-2H3

InChI Key

PGKUZVVMCMTVBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05959068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.36

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

2.067

Distribution Coefficient, logD

2.001

Water Solubility, LogSw

-2.43

Polar Surface Area

53.741

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

E461-0418 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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 E461-0418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E461-0418?
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What is the minimum amount of E461-0418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E461-0418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E461-0418
  • 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 E461-0418 available by request