E685-0009 Screening compound: 4-FLUORO-N-{2-[(4-METHYLPIPERAZINO)CARBONYL]-4-PYRIDYL}-1-BENZENESULFONAMIDE

E685-0009 Screening compound: 4-FLUORO-N-{2-[(4-METHYLPIPERAZINO)CARBONYL]-4-PYRIDYL}-1-BENZENESULFONAMIDE
E685-0009 Screening compound: 4-FLUORO-N-{2-[(4-METHYLPIPERAZINO)CARBONYL]-4-PYRIDYL}-1-BENZENESULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E685-0009
4-FLUORO-N-{2-[(4-METHYLPIPERAZINO)CARBONYL]-4-PYRIDYL}-1-BENZENESULFONAMIDE

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

E685-0009

Molecular Formula

C17H19FN4O3S (C17 H19 FN4 O3 S)

Compound Name

4-FLUORO-N-{2-[(4-METHYLPIPERAZINO)CARBONYL]-4-PYRIDYL}-1-BENZENESULFONAMIDE

IUPAC name

4-fluoro-N-[2-(4-methylpiperazine-1-carbonyl)pyridin-4-yl]benzene-1-sulfonamide

SMILES

CN(CC1)CCN1C(c1nccc(NS(c(cc2)ccc2F)(=O)=O)c1)=O

InChI

InChI=1S/C17H19FN4O3S/c1-21-8-10-22(11-9-21)17(23)16-12-14(6-7-19-16)20-26(24,25)15-4-2-13(18)3-5-15/h2-7,12H,8-11H2,1H3,(H,19,20)

InChI Key

KTULGVGXEVJVHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.407

Distribution Coefficient, logD

0.989

Water Solubility, LogSw

-2.66

Polar Surface Area

70.061

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

E685-0009 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E685-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E685-0009?
Check Price and Availability of E685-0009, 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 E685-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E685-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E685-0009
  • 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 E685-0009 available by request