6705-0150 Screening compound: 4-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)benzoic acid

6705-0150 Screening compound: 4-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)benzoic acid
6705-0150 Screening compound: 4-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6705-0150
4-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)benzoic 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

6705-0150

Molecular Formula

C15H13NO6S (C15 H13 NO6 S)

Compound Name

4-(2,3-dihydro-1,4-benzodioxine-6-sulfonamido)benzoic acid

IUPAC name

4-(23-dihydro-14-benzodioxine-6-sulfonamido)benzoic acid

SMILES

OC(c(cc1)ccc1NS(c(cc1)cc2c1OCCO2)(=O)=O)=O

InChI

InChI=1S/C15H13NO6S/c17-15(18)10-1-3-11(4-2-10)16-23(19,20)12-5-6-13-14(9-12)22-8-7-21-13/h1-6,9,16H,7-8H2,(H,17,18)

InChI Key

JBPARSXZNLGELM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02225809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.762

Distribution Coefficient, logD

-0.633

Water Solubility, LogSw

-2.50

Polar Surface Area

85.119

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-10.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6705-0150 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Endocrine
Structure:
  • Pool
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6705-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6705-0150?
Check Price and Availability of 6705-0150, 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 6705-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6705-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6705-0150
  • 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 6705-0150 available by request