8003-0787 Screening compound: 2,6-di-tert-butyl-4-[(E)-({6-[(E)-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]amino]hexyl}imino)methyl]phenol
Chemical Structure Depiction of ChemDiv screening compound 8003-0787
2,6-di-tert-butyl-4-[(E)-({6-[(E)-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]amino]hexyl}imino)methyl]phenol
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
8003-0787
Molecular Formula
C36H56N2O2 (C36 H56 N2 O2)
Compound Name
2,6-di-tert-butyl-4-[(E)-({6-[(E)-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]amino]hexyl}imino)methyl]phenol
IUPAC name
26-di-tert-butyl-4-[(E)-({6-[(E)-[(35-di-tert-butyl-4-hydroxyphenyl)methylidene]amino]hexyl}imino)methyl]phenol
SMILES
CC(C)(C)c1cc(/C=N/CCCCCC/N=C/c(cc2C(C)(C)C)cc(C(C)(C)C)c2O)cc(C(C)(C)C)c1O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
548.85
Hydrogen Bond Acceptors Count
4.00
Hydrogen Bond Donors Count
2.00
Rotatable Bond Count
13.00
Number of Nitrogen and Oxygen Atoms
4
Partition Coefficient, logP
10.118
Distribution Coefficient, logD
9.402
Water Solubility, LogSw
-5.85
Polar Surface Area
48.475
Acid Dissociation Constant (pKa)
11.13
Base Dissociation Constant (pKb)
8.02
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
61.10
8003-0787 in Drug Discovery
Included in Screening Libraries
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with 8003-0787 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)