K784-9743 Screening compound: 5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carboxylic acid

K784-9743 Screening compound: 5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carboxylic acid
K784-9743 Screening compound: 5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9743
5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carboxylic 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

K784-9743

Molecular Formula

C17H21NO5S (C17 H21 NO5 S)

Compound Name

5-[(3,5-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carboxylic acid

IUPAC name

5-[(35-dimethylpiperidin-1-yl)sulfonyl]-3-methyl-1-benzofuran-2-carboxylic acid

SMILES

CC(CC(C)C1)CN1S(c(cc1)cc2c1oc(C(O)=O)c2C)(=O)=O

InChI

InChI=1S/C17H21NO5S/c1-10-6-11(2)9-18(8-10)24(21,22)13-4-5-15-14(7-13)12(3)16(23-15)17(19)20/h4-5,7,10-11H,6,8-9H2,1-3H3,(H,19,20)

InChI Key

NYSYYVATXNVNCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.427

Distribution Coefficient, logD

-0.956

Water Solubility, LogSw

-3.68

Polar Surface Area

68.750

Acid Dissociation Constant (pKa)

3.02

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.10

K784-9743 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K784-9743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9743?
Check Price and Availability of K784-9743, 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 K784-9743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9743
  • 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 K784-9743 available by request