G696-6032 Screening compound: 3-[(Z)-{[4-(4-nitrophenyl)piperazin-1-yl]({[(oxolan-2-yl)methyl]amino})methylidene}amino]benzoic acid

G696-6032 Screening compound: 3-[(Z)-{[4-(4-nitrophenyl)piperazin-1-yl]({[(oxolan-2-yl)methyl]amino})methylidene}amino]benzoic acid
G696-6032 Screening compound: 3-[(Z)-{[4-(4-nitrophenyl)piperazin-1-yl]({[(oxolan-2-yl)methyl]amino})methylidene}amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G696-6032
3-[(Z)-{[4-(4-nitrophenyl)piperazin-1-yl]({[(oxolan-2-yl)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

G696-6032

Molecular Formula

C23H27N5O5 (C23 H27 N5 O5)

Compound Name

3-[(Z)-{[4-(4-nitrophenyl)piperazin-1-yl]({[(oxolan-2-yl)methyl]amino})methylidene}amino]benzoic acid

IUPAC name

3-[(Z)-{[4-(4-nitrophenyl)piperazin-1-yl]({[(oxolan-2-yl)methyl]amino})methylidene}amino]benzoic acid

SMILES

[O-][N+](c(cc1)ccc1N(CC1)CCN1/C(/NCC1OCCC1)=N\c1cc(C(O)=O)ccc1)=O

InChI

InChI=1S/C23H27N5O5/c29-22(30)17-3-1-4-18(15-17)25-23(24-16-21-5-2-14-33-21)27-12-10-26(11-13-27)19-6-8-20(9-7-19)28(31)32/h1,3-4,6-9,15,21H,2,5,10-14,16H2,(H,24,25)(H,29,30)/t21-/m1/s1

InChI Key

XSGICSLYKGJQRT-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD27151522

Chemical and Physical Properties

Saltdata

CF3COOH

Molecular Weight

453.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

0.391

Water Solubility, LogSw

-3.60

Polar Surface Area

94.991

Acid Dissociation Constant (pKa)

4.21

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

G696-6032 in Drug Discovery

Included in Screening Libraries

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

Nucleoside Mimetics Library (2197 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Structure:
  • Mimetics
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G696-6032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G696-6032?
Check Price and Availability of G696-6032, 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 G696-6032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G696-6032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G696-6032
  • 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 G696-6032 available by request