C113-0126 Screening compound: N-(2,2-dimethoxyethyl)-2,1,3-benzoxadiazole-4-sulfonamide

C113-0126 Screening compound: N-(2,2-dimethoxyethyl)-2,1,3-benzoxadiazole-4-sulfonamide
C113-0126 Screening compound: N-(2,2-dimethoxyethyl)-2,1,3-benzoxadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C113-0126
N-(2,2-dimethoxyethyl)-2,1,3-benzoxadiazole-4-sulfonamide

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

C113-0126

Molecular Formula

C10H13N3O5S (C10 H13 N3 O5 S)

Compound Name

N-(2,2-dimethoxyethyl)-2,1,3-benzoxadiazole-4-sulfonamide

IUPAC name

N-(22-dimethoxyethyl)-213-benzoxadiazole-4-sulfonamide

SMILES

COC(CNS(c1cccc2nonc12)(=O)=O)OC

InChI

InChI=1S/C10H13N3O5S/c1-16-9(17-2)6-11-19(14,15)8-5-3-4-7-10(8)13-18-12-7/h3-5,9,11H,6H2,1-2H3

InChI Key

ZFLFVZQDTJYDKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14720330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.3

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.824

Distribution Coefficient, logD

0.823

Water Solubility, LogSw

-2.21

Polar Surface Area

93.852

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C113-0126 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C113-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C113-0126?
Check Price and Availability of C113-0126, 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 C113-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C113-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C113-0126
  • 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 C113-0126 available by request