8016-9890 Screening compound: N-benzyl-2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl}benzene-1-sulfonamide

8016-9890 Screening compound: N-benzyl-2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl}benzene-1-sulfonamide
8016-9890 Screening compound: N-benzyl-2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9890
N-benzyl-2-methyl-5-{3-methyl-[1,2,4]triazolo[3,4-a]phthalazin-6-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

8016-9890

Molecular Formula

C24H21N5O2S (C24 H21 N5 O2 S)

Compound Name

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

IUPAC name

N-benzyl-2-methyl-5-{3-methyl-[124]triazolo[34-a]phthalazin-6-yl}benzene-1-sulfonamide

SMILES

Cc1nnc2n1nc(-c1cc(S(NCc3ccccc3)(=O)=O)c(C)cc1)c1c2cccc1

InChI

InChI=1S/C24H21N5O2S/c1-16-12-13-19(14-22(16)32(30,31)25-15-18-8-4-3-5-9-18)23-20-10-6-7-11-21(20)24-27-26-17(2)29(24)28-23/h3-14,25H,15H2,1-2H3

InChI Key

PNDBNEFDDWKYDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06006298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.834

Distribution Coefficient, logD

3.831

Water Solubility, LogSw

-4.05

Polar Surface Area

75.978

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8016-9890 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

BRD4 Targeted Library (4534 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Agro:
  • Agro
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8016-9890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9890?
Check Price and Availability of 8016-9890, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8016-9890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9890
  • 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 8016-9890 available by request