8018-8923 Screening compound: (5Z)-3-[2-(4-hydroxyphenyl)ethyl]-5-[(phenylcarbamoyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide

8018-8923 Screening compound: (5Z)-3-[2-(4-hydroxyphenyl)ethyl]-5-[(phenylcarbamoyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide
8018-8923 Screening compound: (5Z)-3-[2-(4-hydroxyphenyl)ethyl]-5-[(phenylcarbamoyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8923
(5Z)-3-[2-(4-hydroxyphenyl)ethyl]-5-[(phenylcarbamoyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide

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

8018-8923

Molecular Formula

C17H16N4O3 (C17 H16 N4 O3)

Compound Name

(5Z)-3-[2-(4-hydroxyphenyl)ethyl]-5-[(phenylcarbamoyl)imino]-4,5-dihydro-1,2,3-oxadiazol-3-ium-4-ide

IUPAC name

(5Z)-3-[2-(4-hydroxyphenyl)ethyl]-5-[(phenylcarbamoyl)imino]-45-dihydro-123-oxadiazol-3-ium-4-ide

SMILES

Oc1ccc(CC[N+]([CH-]2)=NO/C2=N\C(Nc2ccccc2)=O)cc1

InChI

InChI=1S/C17H16N4O3/c22-15-8-6-13(7-9-15)10-11-21-12-16(24-20-21)19-17(23)18-14-4-2-1-3-5-14/h1-9,12,22H,10-11H2,(H,18,23)

InChI Key

SJQXZHPJOCRPDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062962

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

324.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.468

Distribution Coefficient, logD

1.467

Water Solubility, LogSw

-1.82

Polar Surface Area

79.425

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 8018-8923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8923?
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What is the minimum amount of 8018-8923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8923
  • 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 8018-8923 available by request