E461-0339 Screening compound: 8-(4-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione

E461-0339 Screening compound: 8-(4-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione
E461-0339 Screening compound: 8-(4-chlorophenyl)-1,3-dimethyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E461-0339
8-(4-chlorophenyl)-1,3-dimethyl-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

E461-0339

Molecular Formula

C15H14ClN5O2 (C15 H14 ClN5 O2)

Compound Name

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

IUPAC name

8-(4-chlorophenyl)-13-dimethyl-1H2H3H4H6H7H8H-imidazo[12-g]purine-24-dione

SMILES

CN(c1c(C(N2C)=O)n(CCN3c(cc4)ccc4Cl)c3n1)C2=O

InChI

InChI=1S/C15H14ClN5O2/c1-18-12-11(13(22)19(2)15(18)23)21-8-7-20(14(21)17-12)10-5-3-9(16)4-6-10/h3-6H,7-8H2,1-2H3

InChI Key

XTVQJIITIKSQPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

2.570

Water Solubility, LogSw

-3.41

Polar Surface Area

45.186

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

E461-0339 in Drug Discovery

Included in Screening Libraries

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 E461-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E461-0339?
Check Price and Availability of E461-0339, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E461-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E461-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E461-0339
  • 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 E461-0339 available by request