7832-0022 Screening compound: 2-{[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-1,2-dihydrophthalazin-1-one

7832-0022 Screening compound: 2-{[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-1,2-dihydrophthalazin-1-one
7832-0022 Screening compound: 2-{[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-1,2-dihydrophthalazin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7832-0022
2-{[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-1,2-dihydrophthalazin-1-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

7832-0022

Molecular Formula

C18H13N5O3S (C18 H13 N5 O3 S)

Compound Name

2-{[4-(2H-1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]methyl}-1,2-dihydrophthalazin-1-one

IUPAC name

2-{[4-(2H-13-benzodioxol-5-yl)-5-sulfanyl-4H-124-triazol-3-yl]methyl}-12-dihydrophthalazin-1-one

SMILES

O=C1N(Cc(n2-c(cc3)cc4c3OCO4)nnc2S)N=Cc2c1cccc2

InChI

InChI=1S/C18H13N5O3S/c24-17-13-4-2-1-3-11(13)8-19-22(17)9-16-20-21-18(27)23(16)12-5-6-14-15(7-12)26-10-25-14/h1-8H,9-10H2,(H,21,27)

InChI Key

CZVXWCDURHACFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06007815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.224

Distribution Coefficient, logD

-0.035

Water Solubility, LogSw

-2.42

Polar Surface Area

69.813

Acid Dissociation Constant (pKa)

6.17

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

7832-0022 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Carbonic Anhydrase II Library (4939 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 7832-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7832-0022?
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What is the minimum amount of 7832-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7832-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7832-0022
  • 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 7832-0022 available by request