C085-0695 Screening compound: 4-(2-methylpropyl)-N-(pyridin-3-yl)benzene-1-sulfonamide

C085-0695 Screening compound: 4-(2-methylpropyl)-N-(pyridin-3-yl)benzene-1-sulfonamide
C085-0695 Screening compound: 4-(2-methylpropyl)-N-(pyridin-3-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C085-0695
4-(2-methylpropyl)-N-(pyridin-3-yl)benzene-1-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

C085-0695

Molecular Formula

C15H18N2O2S (C15 H18 N2 O2 S)

Compound Name

4-(2-methylpropyl)-N-(pyridin-3-yl)benzene-1-sulfonamide

IUPAC name

4-(2-methylpropyl)-N-(pyridin-3-yl)benzene-1-sulfonamide

SMILES

CC(C)Cc(cc1)ccc1S(Nc1cnccc1)(=O)=O

InChI

InChI=1S/C15H18N2O2S/c1-12(2)10-13-5-7-15(8-6-13)20(18,19)17-14-4-3-9-16-11-14/h3-9,11-12,17H,10H2,1-2H3

InChI Key

QYAVTZYOKWKLJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03856558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.521

Distribution Coefficient, logD

3.461

Water Solubility, LogSw

-3.55

Polar Surface Area

50.406

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C085-0695 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Glucocorticoid receptors Library (4806 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:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C085-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C085-0695?
Check Price and Availability of C085-0695, 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 C085-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C085-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C085-0695
  • 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 C085-0695 available by request