E461-0304 Screening compound: 2-{1-methyl-2,4-dioxo-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}acetamide

E461-0304 Screening compound: 2-{1-methyl-2,4-dioxo-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}acetamide
E461-0304 Screening compound: 2-{1-methyl-2,4-dioxo-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E461-0304
2-{1-methyl-2,4-dioxo-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}acetamide

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

E461-0304

Molecular Formula

C16H16N6O3 (C16 H16 N6 O3)

Compound Name

2-{1-methyl-2,4-dioxo-8-phenyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl}acetamide

IUPAC name

2-{1-methyl-24-dioxo-8-phenyl-1H2H3H4H6H7H8H-imidazo[12-g]purin-3-yl}acetamide

SMILES

CN(c1c(C(N2CC(N)=O)=O)n(CCN3c4ccccc4)c3n1)C2=O

InChI

InChI=1S/C16H16N6O3/c1-19-13-12(14(24)22(16(19)25)9-11(17)23)21-8-7-20(15(21)18-13)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,17,23)

InChI Key

QMFAWISTZUJJEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.693

Distribution Coefficient, logD

0.465

Water Solubility, LogSw

-1.38

Polar Surface Area

78.808

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E461-0304 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with E461-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E461-0304?
Check Price and Availability of E461-0304, 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 E461-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E461-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E461-0304
  • 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 E461-0304 available by request