6725-3906 Screening compound: 4-methyl-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide

6725-3906 Screening compound: 4-methyl-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide
6725-3906 Screening compound: 4-methyl-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6725-3906
4-methyl-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}-N-[2-(morpholin-4-yl)ethyl]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

6725-3906

Molecular Formula

C23H26N6O3S (C23 H26 N6 O3 S)

Compound Name

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

IUPAC name

4-methyl-3-{6-methyl-[124]triazolo[34-a]phthalazin-3-yl}-N-[2-(morpholin-4-yl)ethyl]benzene-1-sulfonamide

SMILES

Cc(ccc(S(NCCN1CCOCC1)(=O)=O)c1)c1-c1nnc2n1nc(C)c1c2cccc1

InChI

InChI=1S/C23H26N6O3S/c1-16-7-8-18(33(30,31)24-9-10-28-11-13-32-14-12-28)15-21(16)23-26-25-22-20-6-4-3-5-19(20)17(2)27-29(22)23/h3-8,15,24H,9-14H2,1-2H3

InChI Key

NYWPVUALQSRGCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04018225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.466

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-2.97

Polar Surface Area

86.740

Acid Dissociation Constant (pKa)

11.07

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

6725-3906 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6725-3906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6725-3906?
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What is the minimum amount of 6725-3906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6725-3906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6725-3906
  • 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 6725-3906 available by request