6725-3954 Screening compound: 2-[4-(2-methoxy-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzenesulfonyl)piperazin-1-yl]ethan-1-ol

6725-3954 Screening compound: 2-[4-(2-methoxy-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzenesulfonyl)piperazin-1-yl]ethan-1-ol
6725-3954 Screening compound: 2-[4-(2-methoxy-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzenesulfonyl)piperazin-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6725-3954
2-[4-(2-methoxy-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzenesulfonyl)piperazin-1-yl]ethan-1-ol

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

6725-3954

Molecular Formula

C23H26N6O4S (C23 H26 N6 O4 S)

Compound Name

2-[4-(2-methoxy-5-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzenesulfonyl)piperazin-1-yl]ethan-1-ol

IUPAC name

2-[4-(2-methoxy-5-{6-methyl-[124]triazolo[34-a]phthalazin-3-yl}benzenesulfonyl)piperazin-1-yl]ethan-1-ol

SMILES

Cc(c1c2cccc1)nn1c2nnc1-c(cc1)cc(S(N2CCN(CCO)CC2)(=O)=O)c1OC

InChI

InChI=1S/C23H26N6O4S/c1-16-18-5-3-4-6-19(18)23-25-24-22(29(23)26-16)17-7-8-20(33-2)21(15-17)34(31,32)28-11-9-27(10-12-28)13-14-30/h3-8,15,30H,9-14H2,1-2H3

InChI Key

MJPSIRZRJXAONJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04019991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.672

Distribution Coefficient, logD

1.661

Water Solubility, LogSw

-2.44

Polar Surface Area

93.036

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

6725-3954 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

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

Human Kinases Annotated Library (2415 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with 6725-3954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6725-3954?
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What is the minimum amount of 6725-3954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6725-3954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6725-3954
  • 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 6725-3954 available by request