8018-3131 Screening compound: 4-{[3-(1H-1,2,3,4-tetraazol-1-yl)phenoxy]methyl}-2(1H)-quinolinone

8018-3131 Screening compound: 4-{[3-(1H-1,2,3,4-tetraazol-1-yl)phenoxy]methyl}-2(1H)-quinolinone
8018-3131 Screening compound: 4-{[3-(1H-1,2,3,4-tetraazol-1-yl)phenoxy]methyl}-2(1H)-quinolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3131
4-{[3-(1H-1,2,3,4-tetraazol-1-yl)phenoxy]methyl}-2(1H)-quinolinone

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

8018-3131

Molecular Formula

C17H13N5O2 (C17 H13 N5 O2)

Compound Name

4-{[3-(1H-1,2,3,4-tetraazol-1-yl)phenoxy]methyl}-2(1H)-quinolinone

IUPAC name

4-{[3-(1H-1234-tetrazol-1-yl)phenoxy]methyl}-12-dihydroquinolin-2-one

SMILES

O=C1Nc(cccc2)c2C(COc2cc(-n3nnnc3)ccc2)=C1

InChI

InChI=1S/C17H13N5O2/c23-17-8-12(15-6-1-2-7-16(15)19-17)10-24-14-5-3-4-13(9-14)22-11-18-20-21-22/h1-9,11H,10H2,(H,19,23)

InChI Key

LOILLZAMNZPJMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.406

Distribution Coefficient, logD

2.406

Water Solubility, LogSw

-3.18

Polar Surface Area

72.052

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.88

8018-3131 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-3131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3131?
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What is the minimum amount of 8018-3131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3131
  • 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 8018-3131 available by request