8016-9881 Screening compound: N~1~,N~1~,2-trimethyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-benzenesulfonamide

8016-9881 Screening compound: N~1~,N~1~,2-trimethyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-benzenesulfonamide
8016-9881 Screening compound: N~1~,N~1~,2-trimethyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9881
N~1~,N~1~,2-trimethyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-benzenesulfonamide

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

8016-9881

Molecular Formula

C19H19N5O2S (C19 H19 N5 O2 S)

Compound Name

N~1~,N~1~,2-trimethyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-benzenesulfonamide

IUPAC name

NN2-trimethyl-5-{3-methyl-[124]triazolo[34-a]phthalazin-6-yl}benzene-1-sulfonamide

SMILES

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

InChI

InChI=1S/C19H19N5O2S/c1-12-9-10-14(11-17(12)27(25,26)23(3)4)18-15-7-5-6-8-16(15)19-21-20-13(2)24(19)22-18/h5-11H,1-4H3

InChI Key

UTHVSBDCNLCZHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.472

Distribution Coefficient, logD

2.471

Water Solubility, LogSw

-2.73

Polar Surface Area

67.883

Acid Dissociation Constant (pKa)

26.24

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

8016-9881 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8016-9881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9881?
Check Price and Availability of 8016-9881, 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 8016-9881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9881
  • 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 8016-9881 available by request