K781-6874 Screening compound: 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-N-(4-ethoxyphenyl)-4-fluorobenzamide

K781-6874 Screening compound: 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-N-(4-ethoxyphenyl)-4-fluorobenzamide
K781-6874 Screening compound: 3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-N-(4-ethoxyphenyl)-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-6874
3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-N-(4-ethoxyphenyl)-4-fluorobenzamide

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

K781-6874

Molecular Formula

C23H21FN2O6S (C23 H21 FN2 O6 S)

Compound Name

3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-N-(4-ethoxyphenyl)-4-fluorobenzamide

IUPAC name

3-{[(2H-13-benzodioxol-5-yl)methyl]sulfamoyl}-N-(4-ethoxyphenyl)-4-fluorobenzamide

SMILES

CCOc(cc1)ccc1NC(c(cc1)cc(S(NCc(cc2)cc3c2OCO3)(=O)=O)c1F)=O

InChI

InChI=1S/C23H21FN2O6S/c1-2-30-18-7-5-17(6-8-18)26-23(27)16-4-9-19(24)22(12-16)33(28,29)25-13-15-3-10-20-21(11-15)32-14-31-20/h3-12,25H,2,13-14H2,1H3,(H,26,27)

InChI Key

OKVAOMIWWQDZMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.184

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-4.21

Polar Surface Area

89.327

Acid Dissociation Constant (pKa)

9.29

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

K781-6874 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K781-6874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-6874?
Check Price and Availability of K781-6874, 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 K781-6874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-6874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-6874
  • 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 K781-6874 available by request