6725-3916 Screening compound: N-butyl-N,2-dimethyl-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide

6725-3916 Screening compound: N-butyl-N,2-dimethyl-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide
6725-3916 Screening compound: N-butyl-N,2-dimethyl-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6725-3916
N-butyl-N,2-dimethyl-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}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

6725-3916

Molecular Formula

C22H25N5O2S (C22 H25 N5 O2 S)

Compound Name

N-butyl-N,2-dimethyl-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide

IUPAC name

N-butyl-N2-dimethyl-5-{6-methyl-[124]triazolo[34-a]phthalazin-3-yl}benzene-1-sulfonamide

SMILES

CCCCN(C)S(c1c(C)ccc(-c2nnc3n2nc(C)c2c3cccc2)c1)(=O)=O

InChI

InChI=1S/C22H25N5O2S/c1-5-6-13-26(4)30(28,29)20-14-17(12-11-15(20)2)21-23-24-22-19-10-8-7-9-18(19)16(3)25-27(21)22/h7-12,14H,5-6,13H2,1-4H3

InChI Key

IQBAGXZJJPJYAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04019784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.15

Polar Surface Area

66.063

Acid Dissociation Constant (pKa)

25.92

Base Dissociation Constant (pKb)

2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

6725-3916 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 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:
  • Cancer

References: we are preparing a list of scientific research reports with 6725-3916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6725-3916?
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What is the minimum amount of 6725-3916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6725-3916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6725-3916
  • 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 6725-3916 available by request