G537-5997 Screening compound: 4-({(E)-1-[(4-METHYLBENZYL)AMINO]-1-[4-(2-MORPHOLINO-2-OXOETHYL)PIPERAZINO]METHYLIDENE}AMINO)BENZOIC ACID

G537-5997 Screening compound: 4-({(E)-1-[(4-METHYLBENZYL)AMINO]-1-[4-(2-MORPHOLINO-2-OXOETHYL)PIPERAZINO]METHYLIDENE}AMINO)BENZOIC ACID
G537-5997 Screening compound: 4-({(E)-1-[(4-METHYLBENZYL)AMINO]-1-[4-(2-MORPHOLINO-2-OXOETHYL)PIPERAZINO]METHYLIDENE}AMINO)BENZOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound G537-5997
4-({(E)-1-[(4-METHYLBENZYL)AMINO]-1-[4-(2-MORPHOLINO-2-OXOETHYL)PIPERAZINO]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

G537-5997

Molecular Formula

C26H33N5O4 (C26 H33 N5 O4)

Compound Name

4-({(E)-1-[(4-METHYLBENZYL)AMINO]-1-[4-(2-MORPHOLINO-2-OXOETHYL)PIPERAZINO]METHYLIDENE}AMINO)BENZOIC ACID

IUPAC name

n/a

SMILES

Cc1ccc(CN/C(/N2CCN(CC(N3CCOCC3)=O)CC2)=N\c(cc2)ccc2C(O)=O)cc1

InChI

InChI=1S/C26H33N5O4/c1-20-2-4-21(5-3-20)18-27-26(28-23-8-6-22(7-9-23)25(33)34)31-12-10-29(11-13-31)19-24(32)30-14-16-35-17-15-30/h2-9H,10-19H2,1H3,(H,27,28)(H,33,34)

InChI Key

CMAGAKWKUXOGSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15017291

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.946

Distribution Coefficient, logD

1.946

Water Solubility, LogSw

-2.48

Polar Surface Area

77.536

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

9.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

G537-5997 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Nuclear receptors
  • Proteases

References: we are preparing a list of scientific research reports with G537-5997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G537-5997?
Check Price and Availability of G537-5997, 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 G537-5997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G537-5997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G537-5997
  • 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 G537-5997 available by request