K784-1991 Screening compound: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide

K784-1991 Screening compound: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide
K784-1991 Screening compound: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-1991
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)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

K784-1991

Molecular Formula

C10H9ClN6O3S (C10 H9 ClN6 O3 S)

Compound Name

2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide

IUPAC name

2-[(5-amino-1H-124-triazol-3-yl)sulfanyl]-N-(2-chloro-4-nitrophenyl)acetamide

SMILES

Nc1nc(SCC(Nc(ccc([N+]([O-])=O)c2)c2Cl)=O)n[nH]1

InChI

InChI=1S/C10H9ClN6O3S/c11-6-3-5(17(19)20)1-2-7(6)13-8(18)4-21-10-14-9(12)15-16-10/h1-3H,4H2,(H,13,18)(H3,12,14,15,16)

InChI Key

DOUBJBLQSYJMTL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.74

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.395

Distribution Coefficient, logD

1.294

Water Solubility, LogSw

-2.76

Polar Surface Area

109.045

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

K784-1991 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K784-1991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-1991?
Check Price and Availability of K784-1991, 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 K784-1991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-1991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-1991
  • 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 K784-1991 available by request