6594-0497 Screening compound: 2,2,2-trifluoro-N-{4-[(pyridin-2-yl)sulfamoyl]phenyl}acetamide

6594-0497 Screening compound: 2,2,2-trifluoro-N-{4-[(pyridin-2-yl)sulfamoyl]phenyl}acetamide
6594-0497 Screening compound: 2,2,2-trifluoro-N-{4-[(pyridin-2-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6594-0497
2,2,2-trifluoro-N-{4-[(pyridin-2-yl)sulfamoyl]phenyl}acetamide

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

6594-0497

Molecular Formula

C13H10F3N3O3S (C13 H10 F3 N3 O3 S)

Compound Name

2,2,2-trifluoro-N-{4-[(pyridin-2-yl)sulfamoyl]phenyl}acetamide

IUPAC name

222-trifluoro-N-{4-[(pyridin-2-yl)sulfamoyl]phenyl}acetamide

SMILES

O=C(C(F)(F)F)Nc(cc1)ccc1S(Nc1ncccc1)(=O)=O

InChI

InChI=1S/C13H10F3N3O3S/c14-13(15,16)12(20)18-9-4-6-10(7-5-9)23(21,22)19-11-3-1-2-8-17-11/h1-8H,(H,17,19)(H,18,20)

InChI Key

IMHHCQAGGTXADS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03620939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.011

Distribution Coefficient, logD

1.286

Water Solubility, LogSw

-2.87

Polar Surface Area

73.866

Acid Dissociation Constant (pKa)

6.77

Base Dissociation Constant (pKb)

0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6594-0497 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 6594-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6594-0497?
Check Price and Availability of 6594-0497, 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 6594-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6594-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6594-0497
  • 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 6594-0497 available by request