F724-0047 Screening compound: 6-butanamido-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid

F724-0047 Screening compound: 6-butanamido-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid
F724-0047 Screening compound: 6-butanamido-2-[4-(2-cyanoethyl)piperazin-1-yl]quinoline-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F724-0047
6-butanamido-2-[4-(2-cyanoethyl)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

F724-0047

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCC(Nc(cc1c(C(O)=O)c2)ccc1nc2N1CCN(CCC#N)CC1)=O

InChI

InChI=1S/C21H25N5O3/c1-2-4-20(27)23-15-5-6-18-16(13-15)17(21(28)29)14-19(24-18)26-11-9-25(10-12-26)8-3-7-22/h5-6,13-14H,2-4,8-12H2,1H3,(H,23,27)(H,28,29)

InChI Key

QYLMOVITLXMREH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14964626

Chemical and Physical Properties

Saltdata

3HCl

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.779

Distribution Coefficient, logD

-0.165

Water Solubility, LogSw

-3.18

Polar Surface Area

84.325

Acid Dissociation Constant (pKa)

4.46

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F724-0047 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

SH2 Library (10483 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F724-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F724-0047?
Check Price and Availability of F724-0047, 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 F724-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F724-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F724-0047
  • 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 F724-0047 available by request