E461-0405 Screening compound: methyl 2-[8-(4-fluorophenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl]acetate

E461-0405 Screening compound: methyl 2-[8-(4-fluorophenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H-imidazo[1,2-g]purin-3-yl]acetate
E461-0405 Screening compound: methyl 2-[8-(4-fluorophenyl)-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 E461-0405
methyl 2-[8-(4-fluorophenyl)-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

E461-0405

Molecular Formula

C17H16FN5O4 (C17 H16 FN5 O4)

Compound Name

methyl 2-[8-(4-fluorophenyl)-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-(4-fluorophenyl)-1-methyl-24-dioxo-1H2H3H4H6H7H8H-imidazo[12-g]purin-3-yl]acetate

SMILES

CN(c1c(C(N2CC(OC)=O)=O)n(CCN3c(cc4)ccc4F)c3n1)C2=O

InChI

InChI=1S/C17H16FN5O4/c1-20-14-13(15(25)23(17(20)26)9-12(24)27-2)22-8-7-21(16(22)19-14)11-5-3-10(18)4-6-11/h3-6H,7-9H2,1-2H3

InChI Key

MTQDTTZNBDQPGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05959055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.34

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

1.690

Distribution Coefficient, logD

1.462

Water Solubility, LogSw

-2.10

Polar Surface Area

65.999

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

E461-0405 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 E461-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E461-0405?
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What is the minimum amount of E461-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E461-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E461-0405
  • 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 E461-0405 available by request