E461-0298 Screening compound: 1,3-dimethyl-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione

E461-0298 Screening compound: 1,3-dimethyl-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione
E461-0298 Screening compound: 1,3-dimethyl-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E461-0298
1,3-dimethyl-8-phenyl-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

E461-0298

Molecular Formula

C15H15N5O2 (C15 H15 N5 O2)

Compound Name

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

IUPAC name

13-dimethyl-8-phenyl-1H2H3H4H6H7H8H-imidazo[12-g]purine-24-dione

SMILES

CN(c1c(C(N2C)=O)n(CCN3c4ccccc4)c3n1)C2=O

InChI

InChI=1S/C15H15N5O2/c1-17-12-11(13(21)18(2)15(17)22)20-9-8-19(14(20)16-12)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3

InChI Key

JTSPVPAHNMZSNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00653033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.32

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

2.320

Distribution Coefficient, logD

1.854

Water Solubility, LogSw

-2.48

Polar Surface Area

45.186

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

7.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

E461-0298 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E461-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E461-0298?
Check Price and Availability of E461-0298, 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 E461-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E461-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E461-0298
  • 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 E461-0298 available by request