3202-0289 Screening compound: (5Z)-5-({4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of ChemDiv screening compound 3202-0289
(5Z)-5-({4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
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
3202-0289
Molecular Formula
C32H34N2O7 (C32 H34 N2 O7)
Compound Name
(5Z)-5-({4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
IUPAC name
(5Z)-5-({4-[2-(4-tert-butylphenoxy)ethoxy]-3-ethoxyphenyl}methylidene)-1-(4-methoxyphenyl)-13-diazinane-246-trione
SMILES
CCOc(cc(/C=C(/C(NC(N1c(cc2)ccc2OC)=O)=O)\C1=O)cc1)c1OCCOc1ccc(C(C)(C)C)cc1
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
558.63
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
1.00
Rotatable Bond Count
11.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
5.438
Distribution Coefficient, logD
5.135
Water Solubility, LogSw
-5.46
Polar Surface Area
82.795
Acid Dissociation Constant (pKa)
7.40
Base Dissociation Constant (pKb)
-5.00
Number of Chiral Centers
0.00
Percent sp3 carbon bonding
28.10
3202-0289 in Drug Discovery
Included in Screening Libraries
Lipid Metabolism Library (9174 compounds)
Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)
Included in 1.7M Stock Database
- Cardiovascular
- Metabolic
- Cancer
- Nervous system
- Male
- Female
- Hemic and lymphatic
- Skin
- Endocrine
- Phosphatases
References: we are preparing a list of scientific research reports with 3202-0289 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)