G845-0086 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(propan-2-yl)phenyl]acetamide

G845-0086 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(propan-2-yl)phenyl]acetamide
G845-0086 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(propan-2-yl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G845-0086
2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(propan-2-yl)phenyl]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

G845-0086

Molecular Formula

C17H17N3O3S2 (C17 H17 N3 O3 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonyl)-N-[4-(propan-2-yl)phenyl]acetamide

IUPAC name

2-(213-benzothiadiazole-4-sulfonyl)-N-[4-(propan-2-yl)phenyl]acetamide

SMILES

CC(C)c(cc1)ccc1NC(CS(c1cccc2nsnc12)(=O)=O)=O

InChI

InChI=1S/C17H17N3O3S2/c1-11(2)12-6-8-13(9-7-12)18-16(21)10-25(22,23)15-5-3-4-14-17(15)20-24-19-14/h3-9,11H,10H2,1-2H3,(H,18,21)

InChI Key

GQZFRYCJLXGLDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15039827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.720

Distribution Coefficient, logD

3.720

Water Solubility, LogSw

-3.98

Polar Surface Area

73.105

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G845-0086 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 G845-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G845-0086?
Check Price and Availability of G845-0086, 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 G845-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G845-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G845-0086
  • 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 G845-0086 available by request