E681-0188 Screening compound: 5-(4-fluorobenzenesulfonamido)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

E681-0188 Screening compound: 5-(4-fluorobenzenesulfonamido)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
E681-0188 Screening compound: 5-(4-fluorobenzenesulfonamido)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E681-0188
5-(4-fluorobenzenesulfonamido)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

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

E681-0188

Molecular Formula

C19H13F4N3O3S (C19 H13 F4 N3 O3 S)

Compound Name

5-(4-fluorobenzenesulfonamido)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

IUPAC name

5-(4-fluorobenzenesulfonamido)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

SMILES

O=C(c1cc(NS(c(cc2)ccc2F)(=O)=O)cnc1)Nc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C19H13F4N3O3S/c20-14-3-7-17(8-4-14)30(28,29)26-16-9-12(10-24-11-16)18(27)25-15-5-1-13(2-6-15)19(21,22)23/h1-11,26H,(H,25,27)

InChI Key

JHEWQHOPAFKTLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06737681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.099

Distribution Coefficient, logD

3.526

Water Solubility, LogSw

-4.21

Polar Surface Area

73.587

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

E681-0188 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E681-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E681-0188?
Check Price and Availability of E681-0188, 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 E681-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E681-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E681-0188
  • 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 E681-0188 available by request