G696-0097 Screening compound: 3-[(E)-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid
Chemical Structure Depiction of ChemDiv screening compound G696-0097
3-[(E)-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}[(3-methoxypropyl)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
G696-0097
Molecular Formula
C24H31ClN4O4 (C24 H31 ClN4 O4)
Compound Name
3-[(E)-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid
IUPAC name
3-[(E)-({4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}[(3-methoxypropyl)amino]methylidene)amino]benzoic acid
SMILES
COCCCN/C(/N1CCN(CCOc(cc2)ccc2Cl)CC1)=N\c1cc(C(O)=O)ccc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
CF3COOH
Molecular Weight
474.99
Hydrogen Bond Acceptors Count
7.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
12.00
Number of Nitrogen and Oxygen Atoms
8
Partition Coefficient, logP
4.204
Distribution Coefficient, logD
4.204
Water Solubility, LogSw
-4.35
Polar Surface Area
69.087
Acid Dissociation Constant (pKa)
4.21
Base Dissociation Constant (pKb)
8.36
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
41.70
G696-0097 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
- PPI modulators
- PPI modulators
- Cyclic compounds
- Nervous system
- Infections
- Cancer
- Musculoskeletal
- Digestive system
- Respiratory tract
- Male
- Female
- Cardiovascular
- Skin
- Metabolic
- Immune system
- GPCR
- Ion Channels
- Proteases
References: we are preparing a list of scientific research reports with G696-0097 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)