G537-0161 Screening compound: 4-[(Z)-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[(3-ethoxypropyl)amino]methylidene)amino]benzoic acid

G537-0161 Screening compound: 4-[(Z)-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[(3-ethoxypropyl)amino]methylidene)amino]benzoic acid
G537-0161 Screening compound: 4-[(Z)-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[(3-ethoxypropyl)amino]methylidene)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G537-0161
4-[(Z)-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[(3-ethoxypropyl)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

G537-0161

Molecular Formula

C25H32N4O5 (C25 H32 N4 O5)

Compound Name

4-[(Z)-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[(3-ethoxypropyl)amino]methylidene)amino]benzoic acid

IUPAC name

4-[(Z)-({4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}[(3-ethoxypropyl)amino]methylidene)amino]benzoic acid

SMILES

CCOCCCN/C(/N1CCN(Cc(cc2)cc3c2OCO3)CC1)=N/c(cc1)ccc1C(O)=O

InChI

InChI=1S/C25H32N4O5/c1-2-32-15-3-10-26-25(27-21-7-5-20(6-8-21)24(30)31)29-13-11-28(12-14-29)17-19-4-9-22-23(16-19)34-18-33-22/h4-9,16H,2-3,10-15,17-18H2,1H3,(H,26,27)(H,30,31)

InChI Key

JLPIYSZXJIIMGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15017140

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

468.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.234

Distribution Coefficient, logD

3.234

Water Solubility, LogSw

-3.11

Polar Surface Area

78.441

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

9.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

G537-0161 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 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:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G537-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G537-0161?
Check Price and Availability of G537-0161, 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 G537-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G537-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G537-0161
  • 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 G537-0161 available by request