7139-9776 Screening compound: N-(3-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)pyridine-3-carboxamide

7139-9776 Screening compound: N-(3-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)pyridine-3-carboxamide
7139-9776 Screening compound: N-(3-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7139-9776
N-(3-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)pyridine-3-carboxamide

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

7139-9776

Molecular Formula

C16H12N6OS (C16 H12 N6 OS)

Compound Name

N-(3-{3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}phenyl)pyridine-3-carboxamide

IUPAC name

N-(3-{3-methyl-[124]triazolo[34-b][134]thiadiazol-6-yl}phenyl)pyridine-3-carboxamide

SMILES

Cc1nnc2sc(-c3cc(NC(c4cnccc4)=O)ccc3)nn12

InChI

InChI=1S/C16H12N6OS/c1-10-19-20-16-22(10)21-15(24-16)11-4-2-6-13(8-11)18-14(23)12-5-3-7-17-9-12/h2-9H,1H3,(H,18,23)

InChI Key

NMPFRVZQTAKMBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05800076

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.598

Distribution Coefficient, logD

1.598

Water Solubility, LogSw

-1.86

Polar Surface Area

67.379

Acid Dissociation Constant (pKa)

11.35

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

7139-9776 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 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:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7139-9776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7139-9776?
Check Price and Availability of 7139-9776, 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 7139-9776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7139-9776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7139-9776
  • 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 7139-9776 available by request