G845-0066 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-methylpyridin-2-yl)acetamide

G845-0066 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-methylpyridin-2-yl)acetamide
G845-0066 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-methylpyridin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G845-0066
2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-methylpyridin-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

G845-0066

Molecular Formula

C14H12N4O3S2 (C14 H12 N4 O3 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-(4-methylpyridin-2-yl)acetamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonyl)-N-(4-methylpyridin-2-yl)acetamide

SMILES

Cc1cc(NC(CS(c2cccc3nsnc23)(=O)=O)=O)ncc1

InChI

InChI=1S/C14H12N4O3S2/c1-9-5-6-15-12(7-9)16-13(19)8-23(20,21)11-4-2-3-10-14(11)18-22-17-10/h2-7H,8H2,1H3,(H,15,16,19)

InChI Key

TUUMBOZYRZWLCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.908

Distribution Coefficient, logD

1.908

Water Solubility, LogSw

-2.65

Polar Surface Area

82.720

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

G845-0066 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G845-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G845-0066?
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What is the minimum amount of G845-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G845-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G845-0066
  • 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 G845-0066 available by request