6725-3966 Screening compound: 4-chloro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzamide

6725-3966 Screening compound: 4-chloro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzamide
6725-3966 Screening compound: 4-chloro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6725-3966
4-chloro-N-(3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}phenyl)benzamide

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

6725-3966

Molecular Formula

C23H16ClN5O (C23 H16 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H16ClN5O/c1-14-19-7-2-3-8-20(19)22-27-26-21(29(22)28-14)16-5-4-6-18(13-16)25-23(30)15-9-11-17(24)12-10-15/h2-13H,1H3,(H,25,30)

InChI Key

OFMKMSYXVUWZLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04011420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.875

Distribution Coefficient, logD

4.874

Water Solubility, LogSw

-5.01

Polar Surface Area

56.340

Acid Dissociation Constant (pKa)

10.59

Base Dissociation Constant (pKb)

3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

6725-3966 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

GABA Library (7115 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6725-3966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6725-3966?
Check Price and Availability of 6725-3966, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6725-3966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6725-3966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6725-3966
  • 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 6725-3966 available by request