6865-4155 Screening compound: N-(3-hydroxypropyl)-4-methoxy-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide

6865-4155 Screening compound: N-(3-hydroxypropyl)-4-methoxy-3-{6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl}benzene-1-sulfonamide
6865-4155 Screening compound: N-(3-hydroxypropyl)-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 6865-4155
N-(3-hydroxypropyl)-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

6865-4155

Molecular Formula

C20H21N5O4S (C20 H21 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nn2c(-c(cc(cc3)S(NCCCO)(=O)=O)c3OC)nnc2c2c1cccc2

InChI

InChI=1S/C20H21N5O4S/c1-13-15-6-3-4-7-16(15)19-22-23-20(25(19)24-13)17-12-14(8-9-18(17)29-2)30(27,28)21-10-5-11-26/h3-4,6-9,12,21,26H,5,10-11H2,1-2H3

InChI Key

CEJVECMLWFKTJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05686117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.495

Distribution Coefficient, logD

1.495

Water Solubility, LogSw

-2.55

Polar Surface Area

99.406

Acid Dissociation Constant (pKa)

11.23

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

6865-4155 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6865-4155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6865-4155?
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What is the minimum amount of 6865-4155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6865-4155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6865-4155
  • 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 6865-4155 available by request