6725-3987 Screening compound: 4-chloro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzene-1-sulfonamide

6725-3987 Screening compound: 4-chloro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzene-1-sulfonamide
6725-3987 Screening compound: 4-chloro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6725-3987
4-chloro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzene-1-sulfonamide

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

6725-3987

Molecular Formula

C22H16ClN5O2S (C22 H16 ClN5 O2 S)

Compound Name

4-chloro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzene-1-sulfonamide

IUPAC name

4-chloro-N-(3-{6-methyl-[124]triazolo[34-a]phthalazin-3-yl}phenyl)benzene-1-sulfonamide

SMILES

Cc(c1c2cccc1)nn1c2nnc1-c1cccc(NS(c(cc2)ccc2Cl)(=O)=O)c1

InChI

InChI=1S/C22H16ClN5O2S/c1-14-19-7-2-3-8-20(19)22-25-24-21(28(22)26-14)15-5-4-6-17(13-15)27-31(29,30)18-11-9-16(23)10-12-18/h2-13,27H,1H3

InChI Key

NKBHHIPGOPXDDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04006780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.766

Water Solubility, LogSw

-4.94

Polar Surface Area

73.898

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

6725-3987 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6725-3987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6725-3987?
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What is the minimum amount of 6725-3987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6725-3987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6725-3987
  • 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 6725-3987 available by request