8016-9879 Screening compound: N~1~,2-dimethyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-benzenesulfonamide

8016-9879 Screening compound: N~1~,2-dimethyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-benzenesulfonamide
8016-9879 Screening compound: N~1~,2-dimethyl-5-(3-methyl[1,2,4]triazolo[3,4-a]phthalazin-6-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9879
N~1~,2-dimethyl-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

8016-9879

Molecular Formula

C18H17N5O2S (C18 H17 N5 O2 S)

Compound Name

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

IUPAC name

N2-dimethyl-5-{3-methyl-[124]triazolo[34-a]phthalazin-6-yl}benzene-1-sulfonamide

SMILES

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

InChI

InChI=1S/C18H17N5O2S/c1-11-8-9-13(10-16(11)26(24,25)19-3)17-14-6-4-5-7-15(14)18-21-20-12(2)23(18)22-17/h4-10,19H,1-3H3

InChI Key

ABQMPFKFBYVSKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06013244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.181

Distribution Coefficient, logD

2.180

Water Solubility, LogSw

-2.77

Polar Surface Area

75.369

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8016-9879 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 8016-9879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9879?
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What is the minimum amount of 8016-9879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9879
  • 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 8016-9879 available by request