F447-0678 Screening compound: 2-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-6-(3-methylbenzenesulfonamido)quinoline-4-carboxylic acid

F447-0678 Screening compound: 2-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-6-(3-methylbenzenesulfonamido)quinoline-4-carboxylic acid
F447-0678 Screening compound: 2-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-6-(3-methylbenzenesulfonamido)quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F447-0678
2-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-6-(3-methylbenzenesulfonamido)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

F447-0678

Molecular Formula

C27H33N5O5S (C27 H33 N5 O5 S)

Compound Name

2-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-6-(3-methylbenzenesulfonamido)quinoline-4-carboxylic acid

IUPAC name

2-{4-[(tert-butylcarbamoyl)methyl]piperazin-1-yl}-6-(3-methylbenzenesulfonamido)quinoline-4-carboxylic acid

SMILES

CC(C)(C)NC(CN(CC1)CCN1c1cc(C(O)=O)c(cc(cc2)NS(c3cc(C)ccc3)(=O)=O)c2n1)=O

InChI

InChI=1S/C27H33N5O5S/c1-18-6-5-7-20(14-18)38(36,37)30-19-8-9-23-21(15-19)22(26(34)35)16-24(28-23)32-12-10-31(11-13-32)17-25(33)29-27(2,3)4/h5-9,14-16,30H,10-13,17H2,1-4H3,(H,29,33)(H,34,35)

InChI Key

IMWUKNRYBVRVPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27129319

Chemical and Physical Properties

Saltdata

3HCl

Molecular Weight

539.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

2.034

Water Solubility, LogSw

-4.39

Polar Surface Area

107.650

Acid Dissociation Constant (pKa)

5.05

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

F447-0678 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Epigenetics Focused Set (26518 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F447-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F447-0678?
Check Price and Availability of F447-0678, 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 F447-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F447-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F447-0678
  • 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 F447-0678 available by request