8012-5627 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-4,5-dimethoxybenzoic acid

8012-5627 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-4,5-dimethoxybenzoic acid
8012-5627 Screening compound: 2-(2,1,3-benzothiadiazole-4-sulfonamido)-4,5-dimethoxybenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5627
2-(2,1,3-benzothiadiazole-4-sulfonamido)-4,5-dimethoxybenzoic acid

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

8012-5627

Molecular Formula

C15H13N3O6S2 (C15 H13 N3 O6 S2)

Compound Name

2-(2,1,3-benzothiadiazole-4-sulfonamido)-4,5-dimethoxybenzoic acid

IUPAC name

2-(213-benzothiadiazole-4-sulfonamido)-45-dimethoxybenzoic acid

SMILES

COc(c(OC)c1)cc(C(O)=O)c1NS(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C15H13N3O6S2/c1-23-11-6-8(15(19)20)10(7-12(11)24-2)18-26(21,22)13-5-3-4-9-14(13)17-25-16-9/h3-7,18H,1-2H3,(H,19,20)

InChI Key

QJZSQKBHMOJUDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02737858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.288

Distribution Coefficient, logD

-0.961

Water Solubility, LogSw

-2.82

Polar Surface Area

104.812

Acid Dissociation Constant (pKa)

4.15

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

8012-5627 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8012-5627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5627?
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What is the minimum amount of 8012-5627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5627
  • 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 8012-5627 available by request