E461-0338 Screening compound: 1-methyl-8-phenyl-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione

E461-0338 Screening compound: 1-methyl-8-phenyl-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione
E461-0338 Screening compound: 1-methyl-8-phenyl-3-(3-phenylpropyl)-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E461-0338
1-methyl-8-phenyl-3-(3-phenylpropyl)-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

E461-0338

Molecular Formula

C23H23N5O2 (C23 H23 N5 O2)

Compound Name

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

IUPAC name

1-methyl-8-phenyl-3-(3-phenylpropyl)-1H2H3H4H6H7H8H-imidazo[12-g]purine-24-dione

SMILES

CN(c1c(C(N2CCCc3ccccc3)=O)n(CCN3c4ccccc4)c3n1)C2=O

InChI

InChI=1S/C23H23N5O2/c1-25-20-19(27-16-15-26(22(27)24-20)18-12-6-3-7-13-18)21(29)28(23(25)30)14-8-11-17-9-4-2-5-10-17/h2-7,9-10,12-13H,8,11,14-16H2,1H3

InChI Key

JKQBXNRQAWESIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.336

Distribution Coefficient, logD

4.271

Water Solubility, LogSw

-4.29

Polar Surface Area

45.127

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E461-0338 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Therapeutical Diversity Annotated Library (7563 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

References: we are preparing a list of scientific research reports with E461-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E461-0338?
Check Price and Availability of E461-0338, 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 E461-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E461-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E461-0338
  • 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 E461-0338 available by request