8014-9789 Screening compound: 2,4-dichloro-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]benzoic acid

8014-9789 Screening compound: 2,4-dichloro-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]benzoic acid
8014-9789 Screening compound: 2,4-dichloro-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9789
2,4-dichloro-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]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

8014-9789

Molecular Formula

C15H11Cl2NO6S (C15 H11 Cl2 NO6 S)

Compound Name

2,4-dichloro-5-[(2,3-dihydro-1,4-benzodioxin-6-yl)sulfamoyl]benzoic acid

IUPAC name

24-dichloro-5-[(23-dihydro-14-benzodioxin-6-yl)sulfamoyl]benzoic acid

SMILES

OC(c(c(Cl)c1)cc(S(Nc(cc2)cc3c2OCCO3)(=O)=O)c1Cl)=O

InChI

InChI=1S/C15H11Cl2NO6S/c16-10-7-11(17)14(6-9(10)15(19)20)25(21,22)18-8-1-2-12-13(5-8)24-4-3-23-12/h1-2,5-7,18H,3-4H2,(H,19,20)

InChI Key

LCTRVSCADYNEFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.23

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

2.611

Distribution Coefficient, logD

-3.162

Water Solubility, LogSw

-3.58

Polar Surface Area

85.119

Acid Dissociation Constant (pKa)

1.63

Base Dissociation Constant (pKb)

-11.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

8014-9789 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-9789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9789?
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What is the minimum amount of 8014-9789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9789
  • 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 8014-9789 available by request