E898-0021 Screening compound: N-(2-chloro-4-fluorophenyl)-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

E898-0021 Screening compound: N-(2-chloro-4-fluorophenyl)-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide
E898-0021 Screening compound: N-(2-chloro-4-fluorophenyl)-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E898-0021
N-(2-chloro-4-fluorophenyl)-2-[3-(4-fluorophenyl)-4-oxo-4H,5H-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]acetamide

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

E898-0021

Molecular Formula

C19H11ClF2N4O3 (C19 H11 ClF2 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(C=Nc1c2c(-c(cc3)ccc3F)no1)C2=O)Nc(ccc(F)c1)c1Cl

InChI

InChI=1S/C19H11ClF2N4O3/c20-13-7-12(22)5-6-14(13)24-15(27)8-26-9-23-18-16(19(26)28)17(25-29-18)10-1-3-11(21)4-2-10/h1-7,9H,8H2,(H,24,27)

InChI Key

ITPRTHOFJIMQRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14926378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

2.784

Water Solubility, LogSw

-3.77

Polar Surface Area

70.153

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

E898-0021 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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 E898-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E898-0021?
Check Price and Availability of E898-0021, 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 E898-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E898-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E898-0021
  • 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 E898-0021 available by request