E898-0104 Screening compound: N-(2-ethoxyphenyl)-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide

E898-0104 Screening compound: N-(2-ethoxyphenyl)-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide
E898-0104 Screening compound: N-(2-ethoxyphenyl)-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E898-0104
N-(2-ethoxyphenyl)-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide

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

E898-0104

Molecular Formula

C22H19FN4O4 (C22 H19 FN4 O4)

Compound Name

N-(2-ethoxyphenyl)-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-methylacetamide

IUPAC name

N-(2-ethoxyphenyl)-2-[3-(4-fluorophenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]-N-methylacetamide

SMILES

CCOc(cccc1)c1N(C)C(CN(C=Nc1c2c(-c(cc3)ccc3F)no1)C2=O)=O

InChI

InChI=1S/C22H19FN4O4/c1-3-30-17-7-5-4-6-16(17)26(2)18(28)12-27-13-24-21-19(22(27)29)20(25-31-21)14-8-10-15(23)11-9-14/h4-11,13H,3,12H2,1-2H3

InChI Key

NFIRJXTXVNCZHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.323

Distribution Coefficient, logD

2.323

Water Solubility, LogSw

-2.61

Polar Surface Area

69.724

Acid Dissociation Constant (pKa)

23.08

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

E898-0104 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E898-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E898-0104?
Check Price and Availability of E898-0104, 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 E898-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E898-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E898-0104
  • 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 E898-0104 available by request