F447-0486 Screening compound: 6-(3-fluorobenzenesulfonamido)-2-{4-[(propylcarbamoyl)methyl]piperazin-1-yl}quinoline-4-carboxylic acid

F447-0486 Screening compound: 6-(3-fluorobenzenesulfonamido)-2-{4-[(propylcarbamoyl)methyl]piperazin-1-yl}quinoline-4-carboxylic acid
F447-0486 Screening compound: 6-(3-fluorobenzenesulfonamido)-2-{4-[(propylcarbamoyl)methyl]piperazin-1-yl}quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F447-0486
6-(3-fluorobenzenesulfonamido)-2-{4-[(propylcarbamoyl)methyl]piperazin-1-yl}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

F447-0486

Molecular Formula

C25H28FN5O5S (C25 H28 FN5 O5 S)

Compound Name

6-(3-fluorobenzenesulfonamido)-2-{4-[(propylcarbamoyl)methyl]piperazin-1-yl}quinoline-4-carboxylic acid

IUPAC name

6-(3-fluorobenzenesulfonamido)-2-{4-[(propylcarbamoyl)methyl]piperazin-1-yl}quinoline-4-carboxylic acid

SMILES

CCCNC(CN(CC1)CCN1c1cc(C(O)=O)c(cc(cc2)NS(c3cc(F)ccc3)(=O)=O)c2n1)=O

InChI

InChI=1S/C25H28FN5O5S/c1-2-8-27-24(32)16-30-9-11-31(12-10-30)23-15-21(25(33)34)20-14-18(6-7-22(20)28-23)29-37(35,36)19-5-3-4-17(26)13-19/h3-7,13-15,29H,2,8-12,16H2,1H3,(H,27,32)(H,33,34)

InChI Key

YNOHGSVDWOSQDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27642800

Chemical and Physical Properties

Saltdata

3HCl

Molecular Weight

529.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.877

Distribution Coefficient, logD

0.933

Water Solubility, LogSw

-3.87

Polar Surface Area

108.668

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

F447-0486 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F447-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F447-0486?
Check Price and Availability of F447-0486, 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 F447-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F447-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F447-0486
  • 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 F447-0486 available by request