6865-4141 Screening compound: N-tert-butyl-4-methoxy-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide

6865-4141 Screening compound: N-tert-butyl-4-methoxy-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide
6865-4141 Screening compound: N-tert-butyl-4-methoxy-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6865-4141
N-tert-butyl-4-methoxy-3-{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

6865-4141

Molecular Formula

C21H23N5O3S (C21 H23 N5 O3 S)

Compound Name

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

IUPAC name

N-tert-butyl-4-methoxy-3-{6-methyl-[124]triazolo[34-a]phthalazin-3-yl}benzene-1-sulfonamide

SMILES

CC(C)(C)NS(c(cc1)cc(-c2nnc3n2nc(C)c2c3cccc2)c1OC)(=O)=O

InChI

InChI=1S/C21H23N5O3S/c1-13-15-8-6-7-9-16(15)19-22-23-20(26(19)24-13)17-12-14(10-11-18(17)29-5)30(27,28)25-21(2,3)4/h6-12,25H,1-5H3

InChI Key

UJPFTIBVWDRXKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05684742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.860

Distribution Coefficient, logD

2.860

Water Solubility, LogSw

-3.53

Polar Surface Area

81.946

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

6865-4141 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 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:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6865-4141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6865-4141?
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What is the minimum amount of 6865-4141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6865-4141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6865-4141
  • 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 6865-4141 available by request