E842-0033 Screening compound: N-(2,5-difluorophenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide

E842-0033 Screening compound: N-(2,5-difluorophenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide
E842-0033 Screening compound: N-(2,5-difluorophenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E842-0033
N-(2,5-difluorophenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-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

E842-0033

Molecular Formula

C20H15F2N5O4 (C20 H15 F2 N5 O4)

Compound Name

N-(2,5-difluorophenyl)-2-{3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide

IUPAC name

N-(25-difluorophenyl)-2-{3-[(3-methyl-124-oxadiazol-5-yl)methyl]-24-dioxo-1234-tetrahydroquinazolin-1-yl}acetamide

SMILES

Cc1noc(CN(C(c(cccc2)c2N2CC(Nc(cc(cc3)F)c3F)=O)=O)C2=O)n1

InChI

InChI=1S/C20H15F2N5O4/c1-11-23-18(31-25-11)10-27-19(29)13-4-2-3-5-16(13)26(20(27)30)9-17(28)24-15-8-12(21)6-7-14(15)22/h2-8H,9-10H2,1H3,(H,24,28)

InChI Key

JZFSYOQYUQAWSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.103

Distribution Coefficient, logD

2.094

Water Solubility, LogSw

-3.22

Polar Surface Area

84.946

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E842-0033 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with E842-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E842-0033?
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What is the minimum amount of E842-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E842-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E842-0033
  • 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 E842-0033 available by request