G845-0081 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide

G845-0081 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide
G845-0081 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G845-0081
2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(2-methoxyphenyl)methyl]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

G845-0081

Molecular Formula

C16H15N3O4S2 (C16 H15 N3 O4 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonyl)-N-[(2-methoxyphenyl)methyl]acetamide

SMILES

COc1c(CNC(CS(c2cccc3nsnc23)(=O)=O)=O)cccc1

InChI

InChI=1S/C16H15N3O4S2/c1-23-13-7-3-2-5-11(13)9-17-15(20)10-25(21,22)14-8-4-6-12-16(14)19-24-18-12/h2-8H,9-10H2,1H3,(H,17,20)

InChI Key

BSGYUEOMLYEYTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.284

Distribution Coefficient, logD

2.284

Water Solubility, LogSw

-2.56

Polar Surface Area

82.058

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

G845-0081 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with G845-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G845-0081?
Check Price and Availability of G845-0081, 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 G845-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G845-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G845-0081
  • 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 G845-0081 available by request