8006-9791 Screening compound: N-(5-bromopyridin-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide

8006-9791 Screening compound: N-(5-bromopyridin-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide
8006-9791 Screening compound: N-(5-bromopyridin-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9791
N-(5-bromopyridin-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide

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

8006-9791

Molecular Formula

C11H10BrN5O2S (C11 H10 BrN5 O2 S)

Compound Name

N-(5-bromopyridin-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide

IUPAC name

N-(5-bromopyridin-2-yl)-2-[(6-methyl-5-oxo-45-dihydro-124-triazin-3-yl)sulfanyl]acetamide

SMILES

CC(C(N1)=O)=NN=C1SCC(Nc(cc1)ncc1Br)=O

InChI

InChI=1S/C11H10BrN5O2S/c1-6-10(19)15-11(17-16-6)20-5-9(18)14-8-3-2-7(12)4-13-8/h2-4H,5H2,1H3,(H,13,14,18)(H,15,17,19)

InChI Key

BKKKNILVWMJGGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.2

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.961

Distribution Coefficient, logD

1.880

Water Solubility, LogSw

-2.44

Polar Surface Area

77.094

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8006-9791 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-9791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9791?
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What is the minimum amount of 8006-9791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9791
  • 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 8006-9791 available by request