E898-0148 Screening compound: 5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3-(4-fluorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

E898-0148 Screening compound: 5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3-(4-fluorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one
E898-0148 Screening compound: 5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3-(4-fluorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E898-0148
5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3-(4-fluorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

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

E898-0148

Molecular Formula

C24H21ClFN5O3 (C24 H21 ClFN5 O3)

Compound Name

5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3-(4-fluorophenyl)-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-4-one

IUPAC name

5-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl}-3-(4-fluorophenyl)-4H5H-[12]oxazolo[54-d]pyrimidin-4-one

SMILES

Cc(ccc(Cl)c1)c1N(CC1)CCN1C(CN(C=Nc1c2c(-c(cc3)ccc3F)no1)C2=O)=O

InChI

InChI=1S/C24H21ClFN5O3/c1-15-2-5-17(25)12-19(15)29-8-10-30(11-9-29)20(32)13-31-14-27-23-21(24(31)33)22(28-34-23)16-3-6-18(26)7-4-16/h2-7,12,14H,8-11,13H2,1H3

InChI Key

YRTCETOWNKIMJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.224

Water Solubility, LogSw

-3.89

Polar Surface Area

67.054

Acid Dissociation Constant (pKa)

25.24

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E898-0148 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E898-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E898-0148?
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What is the minimum amount of E898-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E898-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E898-0148
  • 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 E898-0148 available by request