G696-5879 Screening compound: 3-[(Z)-({[(4-methylphenyl)methyl]amino}({4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl})methylidene)amino]benzoic acid
Chemical Structure Depiction of ChemDiv screening compound G696-5879
3-[(Z)-({[(4-methylphenyl)methyl]amino}({4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl})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
G696-5879
Molecular Formula
C26H33N5O4 (C26 H33 N5 O4)
Compound Name
3-[(Z)-({[(4-methylphenyl)methyl]amino}({4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl})methylidene)amino]benzoic acid
IUPAC name
3-[(Z)-({[(4-methylphenyl)methyl]amino}({4-[2-(morpholin-4-yl)-2-oxoethyl]piperazin-1-yl})methylidene)amino]benzoic acid
SMILES
Cc1ccc(CN/C(/N2CCN(CC(N3CCOCC3)=O)CC2)=N/c2cccc(C(O)=O)c2)cc1
InChI Key
MDL Number (MFCD)
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
2.215
Distribution Coefficient, logD
2.215
Water Solubility, LogSw
-2.54
Polar Surface Area
77.536
Acid Dissociation Constant (pKa)
4.21
Base Dissociation Constant (pKb)
8.86
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
42.30
G696-5879 in Drug Discovery
Included in Screening Libraries
Eccentric PPI Library (11937 compounds)
PI3K-Targeted Library (17255 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
- PPI modulators
- PPI modulators
- Receptor's ligands
- Cyclic compounds
- Cancer
- Digestive system
- Respiratory tract
- Otorhinolaryngologic
- Male
- Female
- Hemic and lymphatic
- Skin
- 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
- Kinases
- Nuclear receptors
- Proteases
References: we are preparing a list of scientific research reports with G696-5879 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)