F447-0098 Screening compound: 6-{[(4-bromophenyl)sulfonyl]amino}-2-(4-methylpiperazino)-4-quinolinecarboxylic acid

F447-0098 Screening compound: 6-{[(4-bromophenyl)sulfonyl]amino}-2-(4-methylpiperazino)-4-quinolinecarboxylic acid
F447-0098 Screening compound: 6-{[(4-bromophenyl)sulfonyl]amino}-2-(4-methylpiperazino)-4-quinolinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F447-0098
6-{[(4-bromophenyl)sulfonyl]amino}-2-(4-methylpiperazino)-4-quinolinecarboxylic 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

F447-0098

Molecular Formula

C21H21BrN4O4S (C21 H21 BrN4 O4 S)

Compound Name

6-{[(4-bromophenyl)sulfonyl]amino}-2-(4-methylpiperazino)-4-quinolinecarboxylic acid

IUPAC name

6-(4-bromobenzenesulfonamido)-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylic acid

SMILES

CN(CC1)CCN1c1cc(C(O)=O)c(cc(cc2)NS(c(cc3)ccc3Br)(=O)=O)c2n1

InChI

InChI=1S/C21H21BrN4O4S/c1-25-8-10-26(11-9-25)20-13-18(21(27)28)17-12-15(4-7-19(17)23-20)24-31(29,30)16-5-2-14(22)3-6-16/h2-7,12-13,24H,8-11H2,1H3,(H,27,28)

InChI Key

CWLBSFHGPUACLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27129244

Chemical and Physical Properties

Saltdata

3HCl

Molecular Weight

505.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.513

Distribution Coefficient, logD

4.513

Water Solubility, LogSw

-4.12

Polar Surface Area

84.019

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

F447-0098 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F447-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F447-0098?
Check Price and Availability of F447-0098, 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 F447-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F447-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F447-0098
  • 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 F447-0098 available by request