E461-0697 Screening compound: methyl 2-[8-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl]acetate

E461-0697 Screening compound: methyl 2-[8-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl]acetate
E461-0697 Screening compound: methyl 2-[8-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E461-0697
methyl 2-[8-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl]acetate

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

E461-0697

Molecular Formula

C19H21N5O4 (C19 H21 N5 O4)

Compound Name

methyl 2-[8-(3,5-dimethylphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl]acetate

IUPAC name

methyl 2-[8-(35-dimethylphenyl)-1-methyl-24-dioxo-1H2H3H4H6H7H8H-imidazo[12-g]purin-3-yl]acetate

SMILES

Cc1cc(N2c3nc(N(C)C(N(CC(OC)=O)C4=O)=O)c4n3CC2)cc(C)c1

InChI

InChI=1S/C19H21N5O4/c1-11-7-12(2)9-13(8-11)22-5-6-23-15-16(20-18(22)23)21(3)19(27)24(17(15)26)10-14(25)28-4/h7-9H,5-6,10H2,1-4H3

InChI Key

MCVWZILMQPDBIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

1.290

Water Solubility, LogSw

-2.57

Polar Surface Area

65.999

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

E461-0697 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 E461-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E461-0697?
Check Price and Availability of E461-0697, 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 E461-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E461-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E461-0697
  • 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 E461-0697 available by request