F447-0546 Screening compound: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(4-ethoxybenzenesulfonamido)quinoline-4-carboxylic acid

F447-0546 Screening compound: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(4-ethoxybenzenesulfonamido)quinoline-4-carboxylic acid
F447-0546 Screening compound: 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(4-ethoxybenzenesulfonamido)quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F447-0546
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(4-ethoxybenzenesulfonamido)quinoline-4-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

F447-0546

Molecular Formula

C25H27N5O5S (C25 H27 N5 O5 S)

Compound Name

2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(4-ethoxybenzenesulfonamido)quinoline-4-carboxylic acid

IUPAC name

2-[4-(2-cyanoethyl)piperazin-1-yl]-6-(4-ethoxybenzenesulfonamido)quinoline-4-carboxylic acid

SMILES

CCOc(cc1)ccc1S(Nc(ccc1nc(N2CCN(CCC#N)CC2)c2)cc1c2C(O)=O)(=O)=O

InChI

InChI=1S/C25H27N5O5S/c1-2-35-19-5-7-20(8-6-19)36(33,34)28-18-4-9-23-21(16-18)22(25(31)32)17-24(27-23)30-14-12-29(13-15-30)11-3-10-26/h4-9,16-17,28H,2-3,11-15H2,1H3,(H,31,32)

InChI Key

SBNDKPPABCKIMX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14954666

Chemical and Physical Properties

Saltdata

3HCl

Molecular Weight

509.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.705

Distribution Coefficient, logD

0.761

Water Solubility, LogSw

-3.96

Polar Surface Area

108.949

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F447-0546 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with F447-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F447-0546?
Check Price and Availability of F447-0546, 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 F447-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F447-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F447-0546
  • 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 F447-0546 available by request