E842-0211 Screening compound: 2-{2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide

E842-0211 Screening compound: 2-{2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide
E842-0211 Screening compound: 2-{2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E842-0211
2-{2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-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

E842-0211

Molecular Formula

C20H17N5O4 (C20 H17 N5 O4)

Compound Name

2-{2,4-dioxo-3-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-1-yl}acetamide

IUPAC name

2-{24-dioxo-3-[2-(3-phenyl-124-oxadiazol-5-yl)ethyl]-1234-tetrahydroquinazolin-1-yl}acetamide

SMILES

NC(CN(c(cccc1)c1C(N1CCc2nc(-c3ccccc3)no2)=O)C1=O)=O

InChI

InChI=1S/C20H17N5O4/c21-16(26)12-25-15-9-5-4-8-14(15)19(27)24(20(25)28)11-10-17-22-18(23-29-17)13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,21,26)

InChI Key

XFDXGWHLZHIIKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.910

Distribution Coefficient, logD

1.910

Water Solubility, LogSw

-2.84

Polar Surface Area

96.248

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E842-0211 in Drug Discovery

Included in Screening Libraries

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

NOTUM (Wnt signaling) Library (3881 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E842-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E842-0211?
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What is the minimum amount of E842-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E842-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E842-0211
  • 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 E842-0211 available by request