8008-8196 Screening compound: 2-chloro-N-[5-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

8008-8196 Screening compound: 2-chloro-N-[5-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide
8008-8196 Screening compound: 2-chloro-N-[5-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8196
2-chloro-N-[5-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]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

8008-8196

Molecular Formula

C12H12ClN5O4S3 (C12 H12 ClN5 O4 S3)

Compound Name

2-chloro-N-[5-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)-1,3,4-thiadiazol-2-yl]acetamide

IUPAC name

2-chloro-N-[5-({[(4-sulfamoylphenyl)carbamoyl]methyl}sulfanyl)-134-thiadiazol-2-yl]acetamide

SMILES

NS(c(cc1)ccc1NC(CSc1nnc(NC(CCl)=O)s1)=O)(=O)=O

InChI

InChI=1S/C12H12ClN5O4S3/c13-5-9(19)16-11-17-18-12(24-11)23-6-10(20)15-7-1-3-8(4-2-7)25(14,21)22/h1-4H,5-6H2,(H,15,20)(H2,14,21,22)(H,16,17,19)

InChI Key

TWZPMTNKKKPCAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.91

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.962

Distribution Coefficient, logD

0.928

Water Solubility, LogSw

-2.03

Polar Surface Area

119.775

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8008-8196 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-8196 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8008-8196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8196
  • 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 8008-8196 available by request