E461-0498 Screening compound: 8-(4-bromophenyl)-3-heptyl-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione

E461-0498 Screening compound: 8-(4-bromophenyl)-3-heptyl-1-methyl-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purine-2,4-dione
E461-0498 Screening compound: 8-(4-bromophenyl)-3-heptyl-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 E461-0498
8-(4-bromophenyl)-3-heptyl-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

E461-0498

Molecular Formula

C21H26BrN5O2 (C21 H26 BrN5 O2)

Compound Name

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

IUPAC name

8-(4-bromophenyl)-3-heptyl-1-methyl-1H2H3H4H6H7H8H-imidazo[12-g]purine-24-dione

SMILES

CCCCCCCN(C(c(n1CC2)c(N3C)nc1N2c(cc1)ccc1Br)=O)C3=O

InChI

InChI=1S/C21H26BrN5O2/c1-3-4-5-6-7-12-27-19(28)17-18(24(2)21(27)29)23-20-25(13-14-26(17)20)16-10-8-15(22)9-11-16/h8-11H,3-7,12-14H2,1-2H3

InChI Key

WXGSVGLZKXINTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.954

Distribution Coefficient, logD

5.888

Water Solubility, LogSw

-5.34

Polar Surface Area

45.399

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

E461-0498 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 E461-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E461-0498?
Check Price and Availability of E461-0498, 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 E461-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E461-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E461-0498
  • 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 E461-0498 available by request