L926-0191 Screening compound: 2-(4-bromophenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

L926-0191 Screening compound: 2-(4-bromophenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
L926-0191 Screening compound: 2-(4-bromophenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L926-0191
2-(4-bromophenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

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

L926-0191

Molecular Formula

C21H15BrN6O2S (C21 H15 BrN6 O2 S)

Compound Name

2-(4-bromophenyl)-5-({3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4H,5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

IUPAC name

2-(4-bromophenyl)-5-({3-[4-(methylsulfanyl)phenyl]-124-oxadiazol-5-yl}methyl)-4H5H-pyrazolo[15-d][124]triazin-4-one

SMILES

CSc(cc1)ccc1-c1noc(CN(C(c2c3)=O)N=Cn2nc3-c(cc2)ccc2Br)n1

InChI

InChI=1S/C21H15BrN6O2S/c1-31-16-8-4-14(5-9-16)20-24-19(30-26-20)11-27-21(29)18-10-17(25-28(18)12-23-27)13-2-6-15(22)7-3-13/h2-10,12H,11H2,1H3

InChI Key

JQPDWLMOZYJPGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27487335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.937

Distribution Coefficient, logD

4.937

Water Solubility, LogSw

-4.75

Polar Surface Area

73.488

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

L926-0191 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

SmartTM Library (51161 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L926-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L926-0191?
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What is the minimum amount of L926-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L926-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L926-0191
  • 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 L926-0191 available by request