E898-2453 Screening compound: 3-[3-(3,5-difluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide

E898-2453 Screening compound: 3-[3-(3,5-difluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide
E898-2453 Screening compound: 3-[3-(3,5-difluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E898-2453
3-[3-(3,5-difluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide

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

E898-2453

Molecular Formula

C23H20F2N4O4 (C23 H20 F2 N4 O4)

Compound Name

3-[3-(3,5-difluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide

IUPAC name

3-[3-(35-difluorophenyl)-4-oxo-4H5H-[12]oxazolo[54-d]pyrimidin-5-yl]-N-[2-(2-methoxyphenyl)ethyl]propanamide

SMILES

COc1c(CCNC(CCN(C=Nc2c3c(-c4cc(F)cc(F)c4)no2)C3=O)=O)cccc1

InChI

InChI=1S/C23H20F2N4O4/c1-32-18-5-3-2-4-14(18)6-8-26-19(30)7-9-29-13-27-22-20(23(29)31)21(28-33-22)15-10-16(24)12-17(25)11-15/h2-5,10-13H,6-9H2,1H3,(H,26,30)

InChI Key

ZJLXCRURXFKSBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27093431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-3.01

Polar Surface Area

79.624

Acid Dissociation Constant (pKa)

14.04

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

E898-2453 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Peptidomimetic Library (37031 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E898-2453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E898-2453?
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What is the minimum amount of E898-2453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E898-2453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E898-2453
  • 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 E898-2453 available by request