G696-0453 Screening compound: 3-[(Z)-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}({[(4-fluorophenyl)methyl]amino})methylidene)amino]benzoic acid

G696-0453 Screening compound: 3-[(Z)-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}({[(4-fluorophenyl)methyl]amino})methylidene)amino]benzoic acid
G696-0453 Screening compound: 3-[(Z)-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}({[(4-fluorophenyl)methyl]amino})methylidene)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G696-0453
3-[(Z)-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}({[(4-fluorophenyl)methyl]amino})methylidene)amino]benzoic 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

G696-0453

Molecular Formula

C27H28ClFN4O3 (C27 H28 ClFN4 O3)

Compound Name

3-[(Z)-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}({[(4-fluorophenyl)methyl]amino})methylidene)amino]benzoic acid

IUPAC name

3-[(Z)-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}({[(4-fluorophenyl)methyl]amino})methylidene)amino]benzoic acid

SMILES

OC(c1cccc(/N=C(/NCc(cc2)ccc2F)\N2CCN(CCOc(cc3)ccc3Cl)CC2)c1)=O

InChI

InChI=1S/C27H28ClFN4O3/c28-22-6-10-25(11-7-22)36-17-16-32-12-14-33(15-13-32)27(30-19-20-4-8-23(29)9-5-20)31-24-3-1-2-21(18-24)26(34)35/h1-11,18H,12-17,19H2,(H,30,31)(H,34,35)

InChI Key

QWZJPXDLFDBRAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27151367

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

511

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.302

Distribution Coefficient, logD

5.302

Water Solubility, LogSw

-5.74

Polar Surface Area

60.631

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

G696-0453 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Proteases

References: we are preparing a list of scientific research reports with G696-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G696-0453?
Check Price and Availability of G696-0453, 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 G696-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G696-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G696-0453
  • 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 G696-0453 available by request